[1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] (2S)-2-[(2-ethoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] (2S)-2-[(2-ethoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] (2S)-2-[(2-ethoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-ethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylphenyl)-1-oxopropan-2-yl] (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-ethoxybenzoyl)amino]-3-methyl-butyric acid [2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C25H31NO5 MolecularWeight: 425.51734

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C(C(C)C)NC(=O)C2=CC=CC=C2OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)[C@H](C(C)C)NC(=O)C2=CC=CC=C2OCC

InChI

InChI=1S/C25H31NO5/c1-6-18-12-14-19(15-13-18)23(27)17(5)31-25(29)22(16(3)4)26-24(28)20-10-8-9-11-21(20)30-7-2/h8-17,22H,6-7H2,1-5H3,(H,26,28)/t17?,22-/m0/s1