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

Systemtic Name: (E)-3-[1-(4-butoxyphenyl)carbonyl-2-methyl-indol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[1-(4-butoxybenzoyl)-2-methyl-indol-4-yl]prop-2-enoic acid CAS Name: (E)-3-[1-[(4-butoxyphenyl)-oxomethyl]-2-methyl-4-indolyl]-2-propenoic acid IUPAC Name: (E)-3-[1-(4-butoxybenzoyl)-2-methylindol-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[1-(4-butoxybenzoyl)-2-methyl-indol-4-yl]acrylic acid Formula: C23H23NO4 MolecularWeight: 377.43302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2C(=CC3=C(C=CC=C32)C=CC(=O)O)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2C(=CC3=C(C=CC=C32)/C=C/C(=O)O)C

InChI

InChI=1S/C23H23NO4/c1-3-4-14-28-19-11-8-18(9-12-19)23(27)24-16(2)15-20-17(10-13-22(25)26)6-5-7-21(20)24/h5-13,15H,3-4,14H2,1-2H3,(H,25,26)/b13-10+