[2-[[2-(cyclopropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-methylindole-3-carboxylate

Systemtic Name: [2-[[2-(cyclopropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-methylindole-3-carboxylate Openeye Name: [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxo-ethyl] 1-methylindole-3-carboxylate CAS Name: 1-methyl-3-indolecarboxylic acid [2-[2-[(cyclopropylamino)-oxomethyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 1-methylindole-3-carboxylate Traditional Name: 1-methylindole-3-carboxylic acid [2-[2-(cyclopropylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C(=O)OCC(=O)NC3=CC=CC=C3C(=O)NC4CC4

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C(=O)OCC(=O)NC3=CC=CC=C3C(=O)NC4CC4

InChI

InChI=1S/C22H21N3O4/c1-25-12-17(15-6-3-5-9-19(15)25)22(28)29-13-20(26)24-18-8-4-2-7-16(18)21(27)23-14-10-11-14/h2-9,12,14H,10-11,13H2,1H3,(H,23,27)(H,24,26)