methyl 1-[2-[[2-methyl-5-(propanoylamino)phenyl]amino]-2-oxidanylidene-ethyl]indole-3-carboxylate

Systemtic Name: methyl 1-[2-[[2-methyl-5-(propanoylamino)phenyl]amino]-2-oxidanylidene-ethyl]indole-3-carboxylate Openeye Name: methyl 1-[2-[2-methyl-5-(propanoylamino)anilino]-2-oxo-ethyl]indole-3-carboxylate CAS Name: 1-[2-[2-methyl-5-(1-oxopropylamino)anilino]-2-oxoethyl]-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[2-methyl-5-(propanoylamino)anilino]-2-oxoethyl]indole-3-carboxylate Traditional Name: 1-[2-keto-2-(2-methyl-5-propionamido-anilino)ethyl]indole-3-carboxylic acid methyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)C)NC(=O)CN2C=C(C3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)C)NC(=O)CN2C=C(C3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C22H23N3O4/c1-4-20(26)23-15-10-9-14(2)18(11-15)24-21(27)13-25-12-17(22(28)29-3)16-7-5-6-8-19(16)25/h5-12H,4,13H2,1-3H3,(H,23,26)(H,24,27)