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

Systemtic Name: 3-phenylpropyl 2-[1-(4-heptoxyphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 3-phenylpropyl 2-[1-(4-heptoxybenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(4-heptoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-[1-(4-heptoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(4-heptoxybenzoyl)-3-keto-piperazin-2-yl]acetic acid 3-phenylpropyl ester Formula: C29H38N2O5 MolecularWeight: 494.62242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C29H38N2O5/c1-2-3-4-5-9-20-35-25-16-14-24(15-17-25)29(34)31-19-18-30-28(33)26(31)22-27(32)36-21-10-13-23-11-7-6-8-12-23/h6-8,11-12,14-17,26H,2-5,9-10,13,18-22H2,1H3,(H,30,33)