[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-benzamido-2-phenyl-ethanoate

Systemtic Name: [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-benzamido-2-phenyl-ethanoate Openeye Name: [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxo-ethyl] 2-benzamido-2-phenyl-acetate CAS Name: 2-benzamido-2-phenylacetic acid [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl] 2-benzamido-2-phenylacetate Traditional Name: 2-benzamido-2-phenyl-acetic acid [2-[1-(3,4-dimethylphenyl)ethylamino]-2-keto-ethyl] ester Formula: C27H28N2O4 MolecularWeight: 444.52222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)NC(=O)COC(=O)C(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)NC(=O)COC(=O)C(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C27H28N2O4/c1-18-14-15-23(16-19(18)2)20(3)28-24(30)17-33-27(32)25(21-10-6-4-7-11-21)29-26(31)22-12-8-5-9-13-22/h4-16,20,25H,17H2,1-3H3,(H,28,30)(H,29,31)