phenethyl 2-[1-[(Z)-2-acetamido-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: phenethyl 2-[1-[(Z)-2-acetamido-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: phenethyl 2-[1-[(Z)-2-acetamido-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(Z)-2-acetamido-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]-3-oxo-2-piperazinyl]acetic acid phenethyl ester IUPAC Name: phenethyl 2-[1-[(Z)-2-acetamido-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(Z)-2-acetamido-3-(3,4-dimethoxyphenyl)acryloyl]-3-keto-piperazin-2-yl]acetic acid phenethyl ester Formula: C27H31N3O7 MolecularWeight: 509.55094

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=CC(=C(C=C1)OC)OC)C(=O)N2CCNC(=O)C2CC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CC(=O)N/C(=C\C1=CC(=C(C=C1)OC)OC)/C(=O)N2CCNC(=O)C2CC(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C27H31N3O7/c1-18(31)29-21(15-20-9-10-23(35-2)24(16-20)36-3)27(34)30-13-12-28-26(33)22(30)17-25(32)37-14-11-19-7-5-4-6-8-19/h4-10,15-16,22H,11-14,17H2,1-3H3,(H,28,33)(H,29,31)/b21-15-