ethyl 1-[3-[5-nitro-1-(phenylmethyl)indol-3-yl]-3-phenyl-propanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-[5-nitro-1-(phenylmethyl)indol-3-yl]-3-phenyl-propanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3-(1-benzyl-5-nitro-indol-3-yl)-3-phenyl-propanoyl]piperidine-3-carboxylate CAS Name: 1-[3-[5-nitro-1-(phenylmethyl)-3-indolyl]-1-oxo-3-phenylpropyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(1-benzyl-5-nitroindol-3-yl)-3-phenylpropanoyl]piperidine-3-carboxylate Traditional Name: 1-[3-(1-benzyl-5-nitro-indol-3-yl)-3-phenyl-propanoyl]nipecotic acid ethyl ester Formula: C32H33N3O5 MolecularWeight: 539.62152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CC(C2=CC=CC=C2)C3=CN(C4=C3C=C(C=C4)[N+](=O)[O-])CC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CC(C2=CC=CC=C2)C3=CN(C4=C3C=C(C=C4)[N+](=O)[O-])CC5=CC=CC=C5

InChI

InChI=1S/C32H33N3O5/c1-2-40-32(37)25-14-9-17-33(21-25)31(36)19-27(24-12-7-4-8-13-24)29-22-34(20-23-10-5-3-6-11-23)30-16-15-26(35(38)39)18-28(29)30/h3-8,10-13,15-16,18,22,25,27H,2,9,14,17,19-21H2,1H3