[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-[(2-ethoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-[(2-ethoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(3-methylanilino)-2-oxo-ethyl] (2S)-2-[(2-ethoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-ethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylanilino)-2-oxoethyl] (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-ethoxybenzoyl)amino]-3-methyl-butyric acid [2-keto-2-(m-toluidino)ethyl] ester Formula: C23H28N2O5 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OCC(=O)NC2=CC=CC(=C2)C

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)NC2=CC=CC(=C2)C

InChI

InChI=1S/C23H28N2O5/c1-5-29-19-12-7-6-11-18(19)22(27)25-21(15(2)3)23(28)30-14-20(26)24-17-10-8-9-16(4)13-17/h6-13,15,21H,5,14H2,1-4H3,(H,24,26)(H,25,27)/t21-/m0/s1