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

Systemtic Name: 3-[(cyclohexylamino)methyl]-6-methyl-1-[(4-methylphenyl)methyl]indole-2-carboxylic acid Openeye Name: 3-[(cyclohexylamino)methyl]-6-methyl-1-(p-tolylmethyl)indole-2-carboxylic acid CAS Name: 3-[(cyclohexylamino)methyl]-6-methyl-1-[(4-methylphenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 3-[(cyclohexylamino)methyl]-6-methyl-1-[(4-methylphenyl)methyl]indole-2-carboxylic acid Traditional Name: 3-[(cyclohexylamino)methyl]-6-methyl-1-(4-methylbenzyl)indole-2-carboxylic acid Formula: C25H30N2O2 MolecularWeight: 390.5179

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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)CNC4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C)C(=C2C(=O)O)CNC4CCCCC4

InChI

InChI=1S/C25H30N2O2/c1-17-8-11-19(12-9-17)16-27-23-14-18(2)10-13-21(23)22(24(27)25(28)29)15-26-20-6-4-3-5-7-20/h8-14,20,26H,3-7,15-16H2,1-2H3,(H,28,29)