3-[(cyclopentylamino)methyl]-6-methyl-1-[(4-methylphenyl)methyl]indole-2-carboxylic acid

Systemtic Name: 3-[(cyclopentylamino)methyl]-6-methyl-1-[(4-methylphenyl)methyl]indole-2-carboxylic acid Openeye Name: 3-[(cyclopentylamino)methyl]-6-methyl-1-(p-tolylmethyl)indole-2-carboxylic acid CAS Name: 3-[(cyclopentylamino)methyl]-6-methyl-1-[(4-methylphenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 3-[(cyclopentylamino)methyl]-6-methyl-1-[(4-methylphenyl)methyl]indole-2-carboxylic acid Traditional Name: 3-[(cyclopentylamino)methyl]-6-methyl-1-(4-methylbenzyl)indole-2-carboxylic acid Formula: C24H28N2O2 MolecularWeight: 376.49132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C)C(=C2C(=O)O)CNC4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C)C(=C2C(=O)O)CNC4CCCC4

InChI

InChI=1S/C24H28N2O2/c1-16-7-10-18(11-8-16)15-26-22-13-17(2)9-12-20(22)21(23(26)24(27)28)14-25-19-5-3-4-6-19/h7-13,19,25H,3-6,14-15H2,1-2H3,(H,27,28)