[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxo-ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-[2-(1-cyclohexenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-ethyl] ester Formula: C20H23N3O4 MolecularWeight: 369.41432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N

InChI

InChI=1S/C20H23N3O4/c21-12-10-18(24)23-17-8-6-16(7-9-17)20(26)27-14-19(25)22-13-11-15-4-2-1-3-5-15/h4,6-9H,1-3,5,10-11,13-14H2,(H,22,25)(H,23,24)