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

Systemtic Name: 3-phenylpropyl 2-[1-[(Z)-2-acetamido-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 3-phenylpropyl 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 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 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 3-phenylpropyl ester Formula: C28H33N3O7 MolecularWeight: 523.57752

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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)OCCCC3=CC=CC=C3

Isomeric SMILES

CC(=O)N/C(=C\C1=CC(=C(C=C1)OC)OC)/C(=O)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C28H33N3O7/c1-19(32)30-22(16-21-11-12-24(36-2)25(17-21)37-3)28(35)31-14-13-29-27(34)23(31)18-26(33)38-15-7-10-20-8-5-4-6-9-20/h4-6,8-9,11-12,16-17,23H,7,10,13-15,18H2,1-3H3,(H,29,34)(H,30,32)/b22-16-