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

Systemtic Name: [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-benzamido-3-phenyl-propanoate Openeye Name: [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxo-ethyl] 2-benzamido-3-phenyl-propanoate CAS Name: 2-benzamido-3-phenylpropanoic acid [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl] 2-benzamido-3-phenylpropanoate Traditional Name: 2-benzamido-3-phenyl-propionic acid [2-[1-(3,4-dimethylphenyl)ethylamino]-2-keto-ethyl] ester Formula: C28H30N2O4 MolecularWeight: 458.5488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)NC(=O)COC(=O)C(CC2=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(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C28H30N2O4/c1-19-14-15-24(16-20(19)2)21(3)29-26(31)18-34-28(33)25(17-22-10-6-4-7-11-22)30-27(32)23-12-8-5-9-13-23/h4-16,21,25H,17-18H2,1-3H3,(H,29,31)(H,30,32)