[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] (E)-3-(3-ethoxy-4-phenylmethoxy-phenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] (E)-3-(3-ethoxy-4-phenylmethoxy-phenyl)prop-2-enoate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (E)-3-(4-benzyloxy-3-ethoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-ethoxy-4-phenylmethoxyphenyl)-2-propenoic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (E)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-benzoxy-3-ethoxy-phenyl)acrylic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C30H32N2O5 MolecularWeight: 500.58548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C30H32N2O5/c1-2-35-28-21-24(13-15-27(28)36-22-25-9-5-3-6-10-25)14-16-30(34)37-23-29(33)32-19-17-31(18-20-32)26-11-7-4-8-12-26/h3-16,21H,2,17-20,22-23H2,1H3/b16-14+