3-[[2-(3-phenylprop-2-enoylamino)-3-(4-propan-2-yloxyphenyl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[2-(3-phenylprop-2-enoylamino)-3-(4-propan-2-yloxyphenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[3-(4-isopropoxyphenyl)-2-(3-phenylprop-2-enoylamino)prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[1-oxo-2-[(1-oxo-3-phenylprop-2-enyl)amino]-3-(4-propan-2-yloxyphenyl)prop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-(3-phenylprop-2-enoylamino)-3-(4-propan-2-yloxyphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cinnamamido-3-(4-isopropoxyphenyl)acryloyl]amino]benzoic acid Formula: C28H26N2O5 MolecularWeight: 470.51644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C=C(C(=O)NC2=CC=CC(=C2)C(=O)O)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C=C(C(=O)NC2=CC=CC(=C2)C(=O)O)NC(=O)C=CC3=CC=CC=C3

InChI

InChI=1S/C28H26N2O5/c1-19(2)35-24-14-11-21(12-15-24)17-25(30-26(31)16-13-20-7-4-3-5-8-20)27(32)29-23-10-6-9-22(18-23)28(33)34/h3-19H,1-2H3,(H,29,32)(H,30,31)(H,33,34)