3-phenylpropyl 2-[3-oxidanylidene-1-(4-prop-2-enoxyphenyl)carbonyl-piperazin-2-yl]ethanoate

Systemtic Name: 3-phenylpropyl 2-[3-oxidanylidene-1-(4-prop-2-enoxyphenyl)carbonyl-piperazin-2-yl]ethanoate Openeye Name: 3-phenylpropyl 2-[1-(4-allyloxybenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[oxo-(4-prop-2-enoxyphenyl)methyl]-2-piperazinyl]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-[3-oxo-1-(4-prop-2-enoxybenzoyl)piperazin-2-yl]acetate Traditional Name: 2-[1-(4-allyloxybenzoyl)-3-keto-piperazin-2-yl]acetic acid 3-phenylpropyl ester Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

C=CCOC1=CC=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C25H28N2O5/c1-2-16-31-21-12-10-20(11-13-21)25(30)27-15-14-26-24(29)22(27)18-23(28)32-17-6-9-19-7-4-3-5-8-19/h2-5,7-8,10-13,22H,1,6,9,14-18H2,(H,26,29)