[(2S)-2-[bis(phenylmethyl)amino]propyl] 4-(2-oxidanylidene-1H-indol-3-ylidene)piperidine-1-carboxylate

Systemtic Name: [(2S)-2-[bis(phenylmethyl)amino]propyl] 4-(2-oxidanylidene-1H-indol-3-ylidene)piperidine-1-carboxylate Openeye Name: [(2S)-2-(dibenzylamino)propyl] 4-(2-oxoindolin-3-ylidene)piperidine-1-carboxylate CAS Name: 4-(2-oxo-1H-indol-3-ylidene)-1-piperidinecarboxylic acid [(2S)-2-[bis(phenylmethyl)amino]propyl] ester IUPAC Name: [(2S)-2-(dibenzylamino)propyl] 4-(2-oxo-1H-indol-3-ylidene)piperidine-1-carboxylate Traditional Name: 4-(2-ketoindolin-3-ylidene)piperidine-1-carboxylic acid [(2S)-2-(dibenzylamino)propyl] ester Formula: C31H33N3O3 MolecularWeight: 495.61202

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)N1CCC(=C2C3=CC=CC=C3NC2=O)CC1)N(CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C[C@@H](COC(=O)N1CCC(=C2C3=CC=CC=C3NC2=O)CC1)N(CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C31H33N3O3/c1-23(34(20-24-10-4-2-5-11-24)21-25-12-6-3-7-13-25)22-37-31(36)33-18-16-26(17-19-33)29-27-14-8-9-15-28(27)32-30(29)35/h2-15,23H,16-22H2,1H3,(H,32,35)/t23-/m0/s1