[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(2,3-dihydroindol-1-ylcarbonyl)cyclohexane-1-carboxylate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(2,3-dihydroindol-1-ylcarbonyl)cyclohexane-1-carboxylate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 2-(indoline-1-carbonyl)cyclohexanecarboxylate CAS Name: 2-[2,3-dihydroindol-1-yl(oxo)methyl]-1-cyclohexanecarboxylic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylate Traditional Name: 2-(indoline-1-carbonyl)cyclohexanecarboxylic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)N2CCC3=CC=CC=C32)C(=O)OCC(=O)N(CC#N)C4=CC=CC=C4

Isomeric SMILES

C1CCC(C(C1)C(=O)N2CCC3=CC=CC=C32)C(=O)OCC(=O)N(CC#N)C4=CC=CC=C4

InChI

InChI=1S/C26H27N3O4/c27-15-17-28(20-9-2-1-3-10-20)24(30)18-33-26(32)22-12-6-5-11-21(22)25(31)29-16-14-19-8-4-7-13-23(19)29/h1-4,7-10,13,21-22H,5-6,11-12,14,16-18H2