3-phenylpropyl 2-[1-[3-bromanyl-4-(2-methoxyethoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 3-phenylpropyl 2-[1-[3-bromanyl-4-(2-methoxyethoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 3-phenylpropyl 2-[1-[3-bromo-4-(2-methoxyethoxy)benzoyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[3-bromo-4-(2-methoxyethoxy)phenyl]-oxomethyl]-3-oxo-2-piperazinyl]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-[1-[3-bromo-4-(2-methoxyethoxy)benzoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[3-bromo-4-(2-methoxyethoxy)benzoyl]-3-keto-piperazin-2-yl]acetic acid 3-phenylpropyl ester Formula: C25H29BrN2O6 MolecularWeight: 533.41156

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3)Br

Isomeric SMILES

COCCOC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3)Br

InChI

InChI=1S/C25H29BrN2O6/c1-32-14-15-33-22-10-9-19(16-20(22)26)25(31)28-12-11-27-24(30)21(28)17-23(29)34-13-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-10,16,21H,5,8,11-15,17H2,1H3,(H,27,30)