3-phenylpropyl 2-[1-(2,4-diethoxyphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 3-phenylpropyl 2-[1-(2,4-diethoxyphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 3-phenylpropyl 2-[1-(2,4-diethoxybenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(2,4-diethoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-[1-(2,4-diethoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(2,4-diethoxybenzoyl)-3-keto-piperazin-2-yl]acetic acid 3-phenylpropyl ester Formula: C26H32N2O6 MolecularWeight: 468.54208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O6/c1-3-32-20-12-13-21(23(17-20)33-4-2)26(31)28-15-14-27-25(30)22(28)18-24(29)34-16-8-11-19-9-6-5-7-10-19/h5-7,9-10,12-13,17,22H,3-4,8,11,14-16,18H2,1-2H3,(H,27,30)