[3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 2-[2-(cyclohexen-1-yl)ethylamino]benzoate

Systemtic Name: [3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 2-[2-(cyclohexen-1-yl)ethylamino]benzoate Openeye Name: [3-(2-cyanoanilino)-3-oxo-propyl] 2-[2-(cyclohexen-1-yl)ethylamino]benzoate CAS Name: 2-[2-(1-cyclohexenyl)ethylamino]benzoic acid [3-(2-cyanoanilino)-3-oxopropyl] ester IUPAC Name: [3-(2-cyanoanilino)-3-oxopropyl] 2-[2-(cyclohexen-1-yl)ethylamino]benzoate Traditional Name: 2-[2-(cyclohexen-1-yl)ethylamino]benzoic acid [3-(2-cyanoanilino)-3-keto-propyl] ester Formula: C25H27N3O3 MolecularWeight: 417.50018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC2=CC=CC=C2C(=O)OCCC(=O)NC3=CC=CC=C3C#N

Isomeric SMILES

C1CCC(=CC1)CCNC2=CC=CC=C2C(=O)OCCC(=O)NC3=CC=CC=C3C#N

InChI

InChI=1S/C25H27N3O3/c26-18-20-10-4-6-12-22(20)28-24(29)15-17-31-25(30)21-11-5-7-13-23(21)27-16-14-19-8-2-1-3-9-19/h4-8,10-13,27H,1-3,9,14-17H2,(H,28,29)