4-[[5-(heptan-3-ylcarbamoyl)-1-methyl-indol-3-yl]methyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[[5-(heptan-3-ylcarbamoyl)-1-methyl-indol-3-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[5-(1-ethylpentylcarbamoyl)-1-methyl-indol-3-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[5-[(heptan-3-ylamino)-oxomethyl]-1-methyl-3-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[5-(heptan-3-ylcarbamoyl)-1-methylindol-3-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[5-(1-ethylpentylcarbamoyl)-1-methyl-indol-3-yl]methyl]-3-methoxy-benzoic acid Formula: C26H32N2O4 MolecularWeight: 436.54328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)NC(=O)C1=CC2=C(C=C1)N(C=C2CC3=C(C=C(C=C3)C(=O)O)OC)C

Isomeric SMILES

CCCCC(CC)NC(=O)C1=CC2=C(C=C1)N(C=C2CC3=C(C=C(C=C3)C(=O)O)OC)C

InChI

InChI=1S/C26H32N2O4/c1-5-7-8-21(6-2)27-25(29)18-11-12-23-22(14-18)20(16-28(23)3)13-17-9-10-19(26(30)31)15-24(17)32-4/h9-12,14-16,21H,5-8,13H2,1-4H3,(H,27,29)(H,30,31)