1-[2-azanyl-3-(1H-indol-3-yl)propanoyl]-4-(phenylmethyl)piperidine-4-carboxylic acid

Systemtic Name: 1-[2-azanyl-3-(1H-indol-3-yl)propanoyl]-4-(phenylmethyl)piperidine-4-carboxylic acid Openeye Name: 1-[2-amino-3-(1H-indol-3-yl)propanoyl]-4-benzyl-piperidine-4-carboxylic acid CAS Name: 1-[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]-4-(phenylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 1-[2-amino-3-(1H-indol-3-yl)propanoyl]-4-benzylpiperidine-4-carboxylic acid Traditional Name: 1-[2-amino-3-(1H-indol-3-yl)propanoyl]-4-benzyl-isonipecotic acid Formula: C24H27N3O3 MolecularWeight: 405.48948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CC2=CC=CC=C2)C(=O)O)C(=O)C(CC3=CNC4=CC=CC=C43)N

Isomeric SMILES

C1CN(CCC1(CC2=CC=CC=C2)C(=O)O)C(=O)C(CC3=CNC4=CC=CC=C43)N

InChI

InChI=1S/C24H27N3O3/c25-20(14-18-16-26-21-9-5-4-8-19(18)21)22(28)27-12-10-24(11-13-27,23(29)30)15-17-6-2-1-3-7-17/h1-9,16,20,26H,10-15,25H2,(H,29,30)