4-[(E)-3-[2,4-dimethoxy-5-(1-methylindol-2-yl)phenyl]prop-2-enoyl]benzoic acid

Systemtic Name: 4-[(E)-3-[2,4-dimethoxy-5-(1-methylindol-2-yl)phenyl]prop-2-enoyl]benzoic acid Openeye Name: 4-[(E)-3-[2,4-dimethoxy-5-(1-methylindol-2-yl)phenyl]prop-2-enoyl]benzoic acid CAS Name: 4-[(E)-3-[2,4-dimethoxy-5-(1-methyl-2-indolyl)phenyl]-1-oxoprop-2-enyl]benzoic acid IUPAC Name: 4-[(E)-3-[2,4-dimethoxy-5-(1-methylindol-2-yl)phenyl]prop-2-enoyl]benzoic acid Traditional Name: 4-[(E)-3-[2,4-dimethoxy-5-(1-methylindol-2-yl)phenyl]acryloyl]benzoic acid Formula: C27H23NO5 MolecularWeight: 441.47522

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C=C1C3=CC(=C(C=C3OC)OC)C=CC(=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CN1C2=CC=CC=C2C=C1C3=CC(=C(C=C3OC)OC)/C=C/C(=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C27H23NO5/c1-28-22-7-5-4-6-19(22)15-23(28)21-14-20(25(32-2)16-26(21)33-3)12-13-24(29)17-8-10-18(11-9-17)27(30)31/h4-16H,1-3H3,(H,30,31)/b13-12+