5-methyl-3-[[(phenylmethyl)-piperidin-4-yl-amino]methyl]-1H-indole-2-carboxylic acid

Systemtic Name: 5-methyl-3-[[(phenylmethyl)-piperidin-4-yl-amino]methyl]-1H-indole-2-carboxylic acid Openeye Name: 3-[[benzyl(4-piperidyl)amino]methyl]-5-methyl-1H-indole-2-carboxylic acid CAS Name: 5-methyl-3-[[(phenylmethyl)-(4-piperidinyl)amino]methyl]-1H-indole-2-carboxylic acid IUPAC Name: 3-[[benzyl(piperidin-4-yl)amino]methyl]-5-methyl-1H-indole-2-carboxylic acid Traditional Name: 3-[[benzyl(4-piperidyl)amino]methyl]-5-methyl-1H-indole-2-carboxylic acid Formula: C23H27N3O2 MolecularWeight: 377.47938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2CN(CC3=CC=CC=C3)C4CCNCC4)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2CN(CC3=CC=CC=C3)C4CCNCC4)C(=O)O

InChI

InChI=1S/C23H27N3O2/c1-16-7-8-21-19(13-16)20(22(25-21)23(27)28)15-26(18-9-11-24-12-10-18)14-17-5-3-2-4-6-17/h2-8,13,18,24-25H,9-12,14-15H2,1H3,(H,27,28)