(phenylmethyl) 2-(1H-indol-3-ylmethyl)-3-oxidanylidene-5-phenyl-2H-pyrrole-1-carboxylate

Systemtic Name: (phenylmethyl) 2-(1H-indol-3-ylmethyl)-3-oxidanylidene-5-phenyl-2H-pyrrole-1-carboxylate Openeye Name: benzyl 2-(1H-indol-3-ylmethyl)-3-oxo-5-phenyl-2H-pyrrole-1-carboxylate CAS Name: 2-(1H-indol-3-ylmethyl)-3-oxo-5-phenyl-2H-pyrrole-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(1H-indol-3-ylmethyl)-3-oxo-5-phenyl-2H-pyrrole-1-carboxylate Traditional Name: 2-(1H-indol-3-ylmethyl)-3-keto-5-phenyl-2-pyrroline-1-carboxylic acid benzyl ester Formula: C27H22N2O3 MolecularWeight: 422.47518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N2C(C(=O)C=C2C3=CC=CC=C3)CC4=CNC5=CC=CC=C54

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N2C(C(=O)C=C2C3=CC=CC=C3)CC4=CNC5=CC=CC=C54

InChI

InChI=1S/C27H22N2O3/c30-26-16-24(20-11-5-2-6-12-20)29(27(31)32-18-19-9-3-1-4-10-19)25(26)15-21-17-28-23-14-8-7-13-22(21)23/h1-14,16-17,25,28H,15,18H2