propyl 2-[(2S)-3-oxidanylidene-1-(4-pentoxyphenyl)carbonyl-piperazin-2-yl]ethanoate

Systemtic Name: propyl 2-[(2S)-3-oxidanylidene-1-(4-pentoxyphenyl)carbonyl-piperazin-2-yl]ethanoate Openeye Name: propyl 2-[(2S)-3-oxo-1-(4-pentoxybenzoyl)piperazin-2-yl]acetate CAS Name: 2-[(2S)-3-oxo-1-[oxo-(4-pentoxyphenyl)methyl]-2-piperazinyl]acetic acid propyl ester IUPAC Name: propyl 2-[(2S)-3-oxo-1-(4-pentoxybenzoyl)piperazin-2-yl]acetate Traditional Name: 2-[(2S)-1-(4-amoxybenzoyl)-3-keto-piperazin-2-yl]acetic acid propyl ester Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)N2CCNC(=O)[C@@H]2CC(=O)OCCC

InChI

InChI=1S/C21H30N2O5/c1-3-5-6-14-27-17-9-7-16(8-10-17)21(26)23-12-11-22-20(25)18(23)15-19(24)28-13-4-2/h7-10,18H,3-6,11-15H2,1-2H3,(H,22,25)/t18-/m0/s1