butyl 2-[(2S)-1-(3-butoxyphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)N2CCNC(=O)[C@@H]2CC(=O)OCCCC

InChI

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