3-[2-(5-methyl-2-oxo-1,2-dihydroindol-3-ylidenemethyl)-4,5,6,7-tetrahydro-1H-indol-3-yl]-propionic acid

HCID 69764692

Basic information

Standard SMILES
Cc1ccc2c(c1)C(=Cc1[nH]c3c(c1CCC(=O)O)CCCC3)C(=O)N2
InChIKey
OWPKTCUCUHPOTI-UHFFFAOYSA-N
Molecular formula
C21H22N2O3
Average molar mass
350.4 g/mol
Monoisotopic mass
350.16304257

Names & identifiers

Preferred name
3-[2-(5-methyl-2-oxo-1,2-dihydroindol-3-ylidenemethyl)-4,5,6,7-tetrahydro-1H-indol-3-yl]-propionic acid
IUPAC
3-[2-[(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-4,5,6,7-tetrahydro-1H-indol-3-yl]propanoic acid

Names & synonyms

SCHEMBL6394656OWPKTCUCUHPOTI-UHFFFAOYSA-N3-[2-(5-methyl-2-oxo-1,2-dihydro-indol-3-ylidenemethyl)-4,5,6,7-tetrahydro-1H-indol-3-yl]-propionic acid3-[2-(5-methyl-2-oxo-1,2-dihydroindol-3-ylidenemethyl)-4,5,6,7-tetrahydro-1H-indol-3-yl]-propionic acid

Database identifiers

PubChem CID
69764692

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
82.2 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
26

Related reactions

3 records

Compound notes

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