ethyl 3-acetamido-6-chloranyl-2-(2-methylphenyl)carbonyl-indole-1-carboxylate

Systemtic Name: ethyl 3-acetamido-6-chloranyl-2-(2-methylphenyl)carbonyl-indole-1-carboxylate Openeye Name: ethyl 3-acetamido-6-chloro-2-(2-methylbenzoyl)indole-1-carboxylate CAS Name: 3-acetamido-6-chloro-2-[(2-methylphenyl)-oxomethyl]-1-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-acetamido-6-chloro-2-(2-methylbenzoyl)indole-1-carboxylate Traditional Name: 3-acetamido-6-chloro-2-o-toluoyl-indole-1-carboxylic acid ethyl ester Formula: C21H19ClN2O4 MolecularWeight: 398.83956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2=C(C=CC(=C2)Cl)C(=C1C(=O)C3=CC=CC=C3C)NC(=O)C

Isomeric SMILES

CCOC(=O)N1C2=C(C=CC(=C2)Cl)C(=C1C(=O)C3=CC=CC=C3C)NC(=O)C

InChI

InChI=1S/C21H19ClN2O4/c1-4-28-21(27)24-17-11-14(22)9-10-16(17)18(23-13(3)25)19(24)20(26)15-8-6-5-7-12(15)2/h5-11H,4H2,1-3H3,(H,23,25)