4-[[(E)-2-benzamido-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 4-[[(E)-2-benzamido-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[(E)-2-benzamido-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[(E)-2-benzamido-3-(3,4-diethoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(E)-2-benzamido-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[(E)-2-benzamido-3-(3,4-diethoxyphenyl)acryloyl]amino]benzoic acid Formula: C27H26N2O6 MolecularWeight: 474.50514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=C(C(=O)NC2=CC=C(C=C2)C(=O)O)NC(=O)C3=CC=CC=C3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=C(\C(=O)NC2=CC=C(C=C2)C(=O)O)/NC(=O)C3=CC=CC=C3)OCC

InChI

InChI=1S/C27H26N2O6/c1-3-34-23-15-10-18(17-24(23)35-4-2)16-22(29-25(30)19-8-6-5-7-9-19)26(31)28-21-13-11-20(12-14-21)27(32)33/h5-17H,3-4H2,1-2H3,(H,28,31)(H,29,30)(H,32,33)/b22-16+