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

Systemtic Name: 2-[1-(4-heptoxyphenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoic acid Openeye Name: 2-[1-(4-heptoxybenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetic acid CAS Name: 2-[1-[(4-heptoxyphenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]acetic acid IUPAC Name: 2-[1-(4-heptoxybenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid Traditional Name: 2-[1-(4-heptoxybenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetic acid Formula: C26H31NO5 MolecularWeight: 437.52804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)N2C(=C(C3=C2C=CC(=C3)OC)CC(=O)O)C

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)N2C(=C(C3=C2C=CC(=C3)OC)CC(=O)O)C

InChI

InChI=1S/C26H31NO5/c1-4-5-6-7-8-15-32-20-11-9-19(10-12-20)26(30)27-18(2)22(17-25(28)29)23-16-21(31-3)13-14-24(23)27/h9-14,16H,4-8,15,17H2,1-3H3,(H,28,29)