[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] (2S)-2-[(3,4-dimethoxyphenyl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] (2S)-2-[(3,4-dimethoxyphenyl)carbonylamino]-3-phenyl-propanoate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] (2S)-2-[(3,4-dimethoxybenzoyl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-3-phenylpropanoic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] (2S)-2-[(3,4-dimethoxybenzoyl)amino]-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-(veratroylamino)propionic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C28H29NO6 MolecularWeight: 475.53296

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C28H29NO6/c1-4-19-10-12-21(13-11-19)24(30)18-35-28(32)23(16-20-8-6-5-7-9-20)29-27(31)22-14-15-25(33-2)26(17-22)34-3/h5-15,17,23H,4,16,18H2,1-3H3,(H,29,31)/t23-/m0/s1