[2-[(3-ethylphenyl)amino]-2-oxidanylidene-ethyl] (3S)-3-benzamido-3-phenyl-propanoate

Systemtic Name: [2-[(3-ethylphenyl)amino]-2-oxidanylidene-ethyl] (3S)-3-benzamido-3-phenyl-propanoate Openeye Name: [2-(3-ethylanilino)-2-oxo-ethyl] (3S)-3-benzamido-3-phenyl-propanoate CAS Name: (3S)-3-benzamido-3-phenylpropanoic acid [2-(3-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-ethylanilino)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate Traditional Name: (3S)-3-benzamido-3-phenyl-propionic acid [2-(3-ethylanilino)-2-keto-ethyl] ester Formula: C26H26N2O4 MolecularWeight: 430.49564

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)COC(=O)CC(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)COC(=O)C[C@@H](C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H26N2O4/c1-2-19-10-9-15-22(16-19)27-24(29)18-32-25(30)17-23(20-11-5-3-6-12-20)28-26(31)21-13-7-4-8-14-21/h3-16,23H,2,17-18H2,1H3,(H,27,29)(H,28,31)/t23-/m0/s1