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

Systemtic Name: 3-[1-(4-butoxyphenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]propanoic acid Openeye Name: 3-[1-(4-butoxybenzoyl)-5-methoxy-2-methyl-indol-3-yl]propanoic acid CAS Name: 3-[1-[(4-butoxyphenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]propanoic acid IUPAC Name: 3-[1-(4-butoxybenzoyl)-5-methoxy-2-methylindol-3-yl]propanoic acid Traditional Name: 3-[1-(4-butoxybenzoyl)-5-methoxy-2-methyl-indol-3-yl]propionic acid Formula: C24H27NO5 MolecularWeight: 409.47488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27NO5/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/h6-10,12,15H,4-5,11,13-14H2,1-3H3,(H,26,27)