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

Systemtic Name: 4-[[5-(cyclopentylmethylcarbamoyl)-1-methyl-indol-3-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[5-(cyclopentylmethylcarbamoyl)-1-methyl-indol-3-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[5-[(cyclopentylmethylamino)-oxomethyl]-1-methyl-3-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[5-(cyclopentylmethylcarbamoyl)-1-methylindol-3-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[5-(cyclopentylmethylcarbamoyl)-1-methyl-indol-3-yl]methyl]-3-methoxy-benzoic acid Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=CC(=C2)C(=O)NCC3CCCC3)CC4=C(C=C(C=C4)C(=O)O)OC

Isomeric SMILES

CN1C=C(C2=C1C=CC(=C2)C(=O)NCC3CCCC3)CC4=C(C=C(C=C4)C(=O)O)OC

InChI

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