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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)O)CN2C=CC3=C2C=C(C=C3)NC(=O)CC4CCCCC4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)CN2C=CC3=C2C=C(C=C3)NC(=O)CC4CCCCC4

InChI

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