6-(3-{[(3,4-dimethoxy-benzoyl)-methyl-amino]-methyl}-benzoylamino)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester

HCID 59190822
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Basic information

Standard SMILES
COc1ccc(C(=O)N(C)Cc2cccc(C(=O)Nc3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)c2)cc1OC
InChIKey
GKXFGJBEVOJDMD-UHFFFAOYSA-N
Molecular formula
C32H37N3O6
Average molar mass
559.7 g/mol
Monoisotopic mass
559.26823591

Names & identifiers

Preferred name
6-(3-{[(3,4-dimethoxy-benzoyl)-methyl-amino]-methyl}-benzoylamino)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester
IUPAC
tert-butyl 6-[[3-[[(3,4-dimethoxybenzoyl)-methylamino]methyl]benzoyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Names & synonyms

SCHEMBL308958GKXFGJBEVOJDMD-UHFFFAOYSA-N6-(3-{[(3,4-dimethoxy-benzoyl)-methyl-amino]-methyl}-benzoylamino)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
59190822

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
97.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
41

Related reactions

2 records
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Compound notes

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