3-phenylpropyl 2-[3-oxidanylidene-1-(4-propan-2-yloxyphenyl)carbonyl-piperazin-2-yl]ethanoate

Systemtic Name: 3-phenylpropyl 2-[3-oxidanylidene-1-(4-propan-2-yloxyphenyl)carbonyl-piperazin-2-yl]ethanoate Openeye Name: 3-phenylpropyl 2-[1-(4-isopropoxybenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[oxo-(4-propan-2-yloxyphenyl)methyl]-2-piperazinyl]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-[3-oxo-1-(4-propan-2-yloxybenzoyl)piperazin-2-yl]acetate Traditional Name: 2-[1-(4-isopropoxybenzoyl)-3-keto-piperazin-2-yl]acetic acid 3-phenylpropyl ester Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C25H30N2O5/c1-18(2)32-21-12-10-20(11-13-21)25(30)27-15-14-26-24(29)22(27)17-23(28)31-16-6-9-19-7-4-3-5-8-19/h3-5,7-8,10-13,18,22H,6,9,14-17H2,1-2H3,(H,26,29)