[2-[(5-acetamido-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-benzamidopropanoate

Systemtic Name: [2-[(5-acetamido-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-benzamidopropanoate Openeye Name: [2-(5-acetamido-2-methoxy-anilino)-2-oxo-ethyl] (2S)-2-benzamidopropanoate CAS Name: (2S)-2-benzamidopropanoic acid [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate Traditional Name: (2S)-2-benzamidopropionic acid [2-(5-acetamido-2-methoxy-anilino)-2-keto-ethyl] ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=C(C=CC(=C1)NC(=O)C)OC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC1=C(C=CC(=C1)NC(=O)C)OC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H23N3O6/c1-13(22-20(27)15-7-5-4-6-8-15)21(28)30-12-19(26)24-17-11-16(23-14(2)25)9-10-18(17)29-3/h4-11,13H,12H2,1-3H3,(H,22,27)(H,23,25)(H,24,26)/t13-/m0/s1