[2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 4,6-dimethyl-1H-indole-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 4,6-dimethyl-1H-indole-2-carboxylate Openeye Name: [2-(benzylcarbamoylamino)-2-oxo-ethyl] 4,6-dimethyl-1H-indole-2-carboxylate CAS Name: 4,6-dimethyl-1H-indole-2-carboxylic acid [2-oxo-2-[[oxo-[(phenylmethyl)amino]methyl]amino]ethyl] ester IUPAC Name: [2-(benzylcarbamoylamino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate Traditional Name: 4,6-dimethyl-1H-indole-2-carboxylic acid [2-(benzylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(NC2=C1)C(=O)OCC(=O)NC(=O)NCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C2C=C(NC2=C1)C(=O)OCC(=O)NC(=O)NCC3=CC=CC=C3)C

InChI

InChI=1S/C21H21N3O4/c1-13-8-14(2)16-10-18(23-17(16)9-13)20(26)28-12-19(25)24-21(27)22-11-15-6-4-3-5-7-15/h3-10,23H,11-12H2,1-2H3,(H2,22,24,25,27)