methyl 1-[2-[[4-(2-cyanopropan-2-yl)phenyl]amino]-2-oxidanylidene-ethyl]indole-3-carboxylate

Systemtic Name: methyl 1-[2-[[4-(2-cyanopropan-2-yl)phenyl]amino]-2-oxidanylidene-ethyl]indole-3-carboxylate Openeye Name: methyl 1-[2-[4-(1-cyano-1-methyl-ethyl)anilino]-2-oxo-ethyl]indole-3-carboxylate CAS Name: 1-[2-[4-(2-cyanopropan-2-yl)anilino]-2-oxoethyl]-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[4-(2-cyanopropan-2-yl)anilino]-2-oxoethyl]indole-3-carboxylate Traditional Name: 1-[2-[4-(1-cyano-1-methyl-ethyl)anilino]-2-keto-ethyl]indole-3-carboxylic acid methyl ester Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C1=CC=C(C=C1)NC(=O)CN2C=C(C3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CC(C)(C#N)C1=CC=C(C=C1)NC(=O)CN2C=C(C3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C22H21N3O3/c1-22(2,14-23)15-8-10-16(11-9-15)24-20(26)13-25-12-18(21(27)28-3)17-6-4-5-7-19(17)25/h4-12H,13H2,1-3H3,(H,24,26)