[(3Z)-2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate

Systemtic Name: [(3Z)-2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Openeye Name: [(3Z)-2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)propyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate CAS Name: 1-[anilino(oxo)methyl]-4-piperidinecarboxylic acid [(3Z)-2-oxo-3-(1,3,3-trimethyl-2-indolylidene)propyl] ester IUPAC Name: [(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Traditional Name: 1-(phenylcarbamoyl)isonipecotic acid [(3Z)-2-keto-3-(1,3,3-trimethylindolin-2-ylidene)propyl] ester Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2N(C1=CC(=O)COC(=O)C3CCN(CC3)C(=O)NC4=CC=CC=C4)C)C

Isomeric SMILES

CC\1(C2=CC=CC=C2N(/C1=C\C(=O)COC(=O)C3CCN(CC3)C(=O)NC4=CC=CC=C4)C)C

InChI

InChI=1S/C27H31N3O4/c1-27(2)22-11-7-8-12-23(22)29(3)24(27)17-21(31)18-34-25(32)19-13-15-30(16-14-19)26(33)28-20-9-5-4-6-10-20/h4-12,17,19H,13-16,18H2,1-3H3,(H,28,33)/b24-17-