(E)-3-[1-(4-butoxyphenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[1-(4-butoxyphenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]prop-2-enoic acid Openeye Name: (E)-3-[1-(4-butoxybenzoyl)-5-methoxy-2-methyl-indol-3-yl]prop-2-enoic acid CAS Name: (E)-3-[1-[(4-butoxyphenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]-2-propenoic acid IUPAC Name: (E)-3-[1-(4-butoxybenzoyl)-5-methoxy-2-methylindol-3-yl]prop-2-enoic acid Traditional Name: (E)-3-[1-(4-butoxybenzoyl)-5-methoxy-2-methyl-indol-3-yl]acrylic acid Formula: C24H25NO5 MolecularWeight: 407.459

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2C(=C(C3=C2C=CC(=C3)OC)C=CC(=O)O)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2C(=C(C3=C2C=CC(=C3)OC)/C=C/C(=O)O)C

InChI

InChI=1S/C24H25NO5/c1-4-5-14-30-18-8-6-17(7-9-18)24(28)25-16(2)20(11-13-23(26)27)21-15-19(29-3)10-12-22(21)25/h6-13,15H,4-5,14H2,1-3H3,(H,26,27)/b13-11+