[4-chloranyl-2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]phenyl] 3-methoxybenzoate

Systemtic Name: [4-chloranyl-2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]phenyl] 3-methoxybenzoate Openeye Name: [4-chloro-2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]phenyl] 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid [4-chloro-2-[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]phenyl] ester IUPAC Name: [4-chloro-2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]phenyl] 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid [4-chloro-2-[(E)-3-(3,4-dimethoxyphenyl)acryloyl]phenyl] ester Formula: C25H21ClO6 MolecularWeight: 452.88364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)C2=C(C=CC(=C2)Cl)OC(=O)C3=CC(=CC=C3)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)C2=C(C=CC(=C2)Cl)OC(=O)C3=CC(=CC=C3)OC)OC

InChI

InChI=1S/C25H21ClO6/c1-29-19-6-4-5-17(14-19)25(28)32-22-12-9-18(26)15-20(22)21(27)10-7-16-8-11-23(30-2)24(13-16)31-3/h4-15H,1-3H3/b10-7+