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

Systemtic Name: propan-2-yl 2-[(2S)-3-oxidanylidene-1-(4-pentoxyphenyl)carbonyl-piperazin-2-yl]ethanoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl 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)OC(C)C

Isomeric SMILES

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

InChI

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