4-[[6-(2-cyclopentylethanoylamino)-3-methyl-indol-1-yl]methyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[[6-(2-cyclopentylethanoylamino)-3-methyl-indol-1-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[6-[(2-cyclopentylacetyl)amino]-3-methyl-indol-1-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[6-[(2-cyclopentyl-1-oxoethyl)amino]-3-methyl-1-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[6-[(2-cyclopentylacetyl)amino]-3-methylindol-1-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[6-[(2-cyclopentylacetyl)amino]-3-methyl-indol-1-yl]methyl]-3-methoxy-benzoic acid Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C2=C1C=CC(=C2)NC(=O)CC3CCCC3)CC4=C(C=C(C=C4)C(=O)O)OC

Isomeric SMILES

CC1=CN(C2=C1C=CC(=C2)NC(=O)CC3CCCC3)CC4=C(C=C(C=C4)C(=O)O)OC

InChI

InChI=1S/C25H28N2O4/c1-16-14-27(15-19-8-7-18(25(29)30)12-23(19)31-2)22-13-20(9-10-21(16)22)26-24(28)11-17-5-3-4-6-17/h7-10,12-14,17H,3-6,11,15H2,1-2H3,(H,26,28)(H,29,30)