3-methylbutyl 4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: 3-methylbutyl 4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoate Openeye Name: isopentyl 4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-(3,4-dimethoxyphenyl)acryloyl]amino]benzoic acid isoamyl ester Formula: C23H27NO5 MolecularWeight: 397.46418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1=CC=C(C=C1)NC(=O)C=CC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C)CCOC(=O)C1=CC=C(C=C1)NC(=O)/C=C/C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C23H27NO5/c1-16(2)13-14-29-23(26)18-7-9-19(10-8-18)24-22(25)12-6-17-5-11-20(27-3)21(15-17)28-4/h5-12,15-16H,13-14H2,1-4H3,(H,24,25)/b12-6+