(3S)-1-(2-benzamidoethanoyl)-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(2-benzamidoethanoyl)-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]piperidine-3-carboxamide Openeye Name: (3S)-1-(2-benzamidoacetyl)-N-[(1R)-2-(1H-indol-3-yl)-1-methyl-ethyl]piperidine-3-carboxamide CAS Name: (3S)-1-(2-benzamido-1-oxoethyl)-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(2-benzamidoacetyl)-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]piperidine-3-carboxamide Traditional Name: (3S)-1-hippuroyl-N-[(1R)-2-(1H-indol-3-yl)-1-methyl-ethyl]nipecotamide Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CNC2=CC=CC=C21)NC(=O)C3CCCN(C3)C(=O)CNC(=O)C4=CC=CC=C4

Isomeric SMILES

C[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H]3CCCN(C3)C(=O)CNC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H30N4O3/c1-18(14-21-15-27-23-12-6-5-11-22(21)23)29-26(33)20-10-7-13-30(17-20)24(31)16-28-25(32)19-8-3-2-4-9-19/h2-6,8-9,11-12,15,18,20,27H,7,10,13-14,16-17H2,1H3,(H,28,32)(H,29,33)/t18-,20+/m1/s1