[3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 1-(4-chlorophenyl)cyclobutane-1-carboxylate

Systemtic Name: [3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 1-(4-chlorophenyl)cyclobutane-1-carboxylate Openeye Name: [3-(2-cyanoanilino)-3-oxo-propyl] 1-(4-chlorophenyl)cyclobutanecarboxylate CAS Name: 1-(4-chlorophenyl)-1-cyclobutanecarboxylic acid [3-(2-cyanoanilino)-3-oxopropyl] ester IUPAC Name: [3-(2-cyanoanilino)-3-oxopropyl] 1-(4-chlorophenyl)cyclobutane-1-carboxylate Traditional Name: 1-(4-chlorophenyl)cyclobutanecarboxylic acid [3-(2-cyanoanilino)-3-keto-propyl] ester Formula: C21H19ClN2O3 MolecularWeight: 382.84016

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)(C2=CC=C(C=C2)Cl)C(=O)OCCC(=O)NC3=CC=CC=C3C#N

Isomeric SMILES

C1CC(C1)(C2=CC=C(C=C2)Cl)C(=O)OCCC(=O)NC3=CC=CC=C3C#N

InChI

InChI=1S/C21H19ClN2O3/c22-17-8-6-16(7-9-17)21(11-3-12-21)20(26)27-13-10-19(25)24-18-5-2-1-4-15(18)14-23/h1-2,4-9H,3,10-13H2,(H,24,25)