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

Systemtic Name: phenethyl 2-[(2S)-1-(3-ethoxyphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 2-[(2S)-1-(3-ethoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-1-(3-ethoxybenzoyl)-3-keto-piperazin-2-yl]acetic acid phenethyl ester Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)N2CCNC(=O)[C@@H]2CC(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C23H26N2O5/c1-2-29-19-10-6-9-18(15-19)23(28)25-13-12-24-22(27)20(25)16-21(26)30-14-11-17-7-4-3-5-8-17/h3-10,15,20H,2,11-14,16H2,1H3,(H,24,27)/t20-/m0/s1