1-methyl-3-[(4-phenylbutan-2-ylamino)methyl]indole-2-carboxylic acid

Systemtic Name: 1-methyl-3-[(4-phenylbutan-2-ylamino)methyl]indole-2-carboxylic acid Openeye Name: 1-methyl-3-[[(1-methyl-3-phenyl-propyl)amino]methyl]indole-2-carboxylic acid CAS Name: 1-methyl-3-[(4-phenylbutan-2-ylamino)methyl]-2-indolecarboxylic acid IUPAC Name: 1-methyl-3-[(4-phenylbutan-2-ylamino)methyl]indole-2-carboxylic acid Traditional Name: 1-methyl-3-[[(1-methyl-3-phenyl-propyl)amino]methyl]indole-2-carboxylic acid Formula: C21H24N2O2 MolecularWeight: 336.42746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NCC2=C(N(C3=CC=CC=C32)C)C(=O)O

Isomeric SMILES

CC(CCC1=CC=CC=C1)NCC2=C(N(C3=CC=CC=C32)C)C(=O)O

InChI

InChI=1S/C21H24N2O2/c1-15(12-13-16-8-4-3-5-9-16)22-14-18-17-10-6-7-11-19(17)23(2)20(18)21(24)25/h3-11,15,22H,12-14H2,1-2H3,(H,24,25)