3-[(2-Cycloheptylmethyl-5-naphthalen-2-yl-1H-pyrrole-3-carbonyl)-amino]-benzoic Acid

HCID 9890720

Notes Reactions

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Basic information

Standard SMILES: O=C(O)c1cccc(NC(=O)c2cc(-c3ccc4ccccc4c3)[nH]c2CC2CCCCCC2)c1
InChIKey: VQZIRAVQCBUVTL-UHFFFAOYSA-N
Molecular formula: C30H30N2O3
Average molar mass: 466.6 g/mol

Names & identifiers

Preferred name: 3-[(2-Cycloheptylmethyl-5-naphthalen-2-yl-1H-pyrrole-3-carbonyl)-amino]-benzoic Acid
IUPAC: 3-[[2-(cycloheptylmethyl)-5-naphthalen-2-yl-1H-pyrrole-3-carbonyl]amino]benzoic acid

Names & synonyms

CHEMBL2067971CHEMBL435127SCHEMBL6159302VQZIRAVQCBUVTL-UHFFFAOYSA-NBDBM504755253-[(2-Cycloheptylmethyl-5-naphthalen-2-yl-1H-pyrrole-3-carbonyl)-amino]-benzoic Acid

Database identifiers

PubChem CID: 9890720
ChEMBL: CHEMBL2067971、CHEMBL435127

Properties

Computed structural properties

XLogP: 7.6
Topological polar surface area: 82.2 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 35
Formal charge: 0
Complexity: 718

Related reactions

1 records

New reaction record

HRID 1018306As productuspto-grants-2002_11

Compound notes

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