4-[[5-(2-ethylpentanoylamino)-1-methyl-indol-3-yl]methyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[[5-(2-ethylpentanoylamino)-1-methyl-indol-3-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[5-(2-ethylpentanoylamino)-1-methyl-indol-3-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[5-[(2-ethyl-1-oxopentyl)amino]-1-methyl-3-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[5-(2-ethylpentanoylamino)-1-methylindol-3-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[5-(2-ethylpentanoylamino)-1-methyl-indol-3-yl]methyl]-3-methoxy-benzoic acid Formula: C25H30N2O4 MolecularWeight: 422.5167

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)C(=O)NC1=CC2=C(C=C1)N(C=C2CC3=C(C=C(C=C3)C(=O)O)OC)C

Isomeric SMILES

CCCC(CC)C(=O)NC1=CC2=C(C=C1)N(C=C2CC3=C(C=C(C=C3)C(=O)O)OC)C

InChI

InChI=1S/C25H30N2O4/c1-5-7-16(6-2)24(28)26-20-10-11-22-21(14-20)19(15-27(22)3)12-17-8-9-18(25(29)30)13-23(17)31-4/h8-11,13-16H,5-7,12H2,1-4H3,(H,26,28)(H,29,30)