butan-2-yl 2-[1-(4-butoxyphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: butan-2-yl 2-[1-(4-butoxyphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: sec-butyl 2-[1-(4-butoxybenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(4-butoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-[1-(4-butoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(4-butoxybenzoyl)-3-keto-piperazin-2-yl]acetic acid sec-butyl ester Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OC(C)CC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OC(C)CC

InChI

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