3-phenylpropyl 2-[3-oxidanylidene-1-(3-propoxyphenyl)carbonyl-piperazin-2-yl]ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3

InChI

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