(phenylmethyl) 2-[(2S)-1-(3-ethoxyphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[(2S)-1-(3-ethoxyphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: benzyl 2-[(2S)-1-(3-ethoxybenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2S)-1-[(3-ethoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(2S)-1-(3-ethoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-1-(3-ethoxybenzoyl)-3-keto-piperazin-2-yl]acetic acid benzyl ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)N2CCNC(=O)C2CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)N2CCNC(=O)[C@@H]2CC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O5/c1-2-28-18-10-6-9-17(13-18)22(27)24-12-11-23-21(26)19(24)14-20(25)29-15-16-7-4-3-5-8-16/h3-10,13,19H,2,11-12,14-15H2,1H3,(H,23,26)/t19-/m0/s1