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

Systemtic Name: 3-[(cycloheptylamino)methyl]-6-methyl-1-[(4-methylphenyl)methyl]indole-2-carboxylic acid Openeye Name: 3-[(cycloheptylamino)methyl]-6-methyl-1-(p-tolylmethyl)indole-2-carboxylic acid CAS Name: 3-[(cycloheptylamino)methyl]-6-methyl-1-[(4-methylphenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 3-[(cycloheptylamino)methyl]-6-methyl-1-[(4-methylphenyl)methyl]indole-2-carboxylic acid Traditional Name: 3-[(cycloheptylamino)methyl]-6-methyl-1-(4-methylbenzyl)indole-2-carboxylic acid Formula: C26H32N2O2 MolecularWeight: 404.54448

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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)CNC4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C)C(=C2C(=O)O)CNC4CCCCCC4

InChI

InChI=1S/C26H32N2O2/c1-18-9-12-20(13-10-18)17-28-24-15-19(2)11-14-22(24)23(25(28)26(29)30)16-27-21-7-5-3-4-6-8-21/h9-15,21,27H,3-8,16-17H2,1-2H3,(H,29,30)