dimethyl 2-[4-(1H-indol-3-yl)-2-oxidanylidene-3-(phenylmethoxycarbonylamino)butyl]-2-methyl-propanedioate

Systemtic Name: dimethyl 2-[4-(1H-indol-3-yl)-2-oxidanylidene-3-(phenylmethoxycarbonylamino)butyl]-2-methyl-propanedioate Openeye Name: dimethyl 2-[3-(benzyloxycarbonylamino)-4-(1H-indol-3-yl)-2-oxo-butyl]-2-methyl-propanedioate CAS Name: 2-[4-(1H-indol-3-yl)-2-oxo-3-(phenylmethoxycarbonylamino)butyl]-2-methylpropanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[4-(1H-indol-3-yl)-2-oxo-3-(phenylmethoxycarbonylamino)butyl]-2-methylpropanedioate Traditional Name: 2-[3-(benzyloxycarbonylamino)-4-(1H-indol-3-yl)-2-keto-butyl]-2-methyl-malonic acid dimethyl ester Formula: C26H28N2O7 MolecularWeight: 480.50972

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3)(C(=O)OC)C(=O)OC

Isomeric SMILES

CC(CC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C26H28N2O7/c1-26(23(30)33-2,24(31)34-3)14-22(29)21(13-18-15-27-20-12-8-7-11-19(18)20)28-25(32)35-16-17-9-5-4-6-10-17/h4-12,15,21,27H,13-14,16H2,1-3H3,(H,28,32)