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

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] (2S)-2-[(2-ethoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (2S)-2-[(2-ethoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-ethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-ethoxybenzoyl)amino]-3-methyl-butyric acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C26H33N3O5 MolecularWeight: 467.55732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C26H33N3O5/c1-4-33-22-13-9-8-12-21(22)25(31)27-24(19(2)3)26(32)34-18-23(30)29-16-14-28(15-17-29)20-10-6-5-7-11-20/h5-13,19,24H,4,14-18H2,1-3H3,(H,27,31)/t24-/m0/s1