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

Systemtic Name: 4-[[5-(2-cyclopentylethanoylamino)-1-ethanoyl-indol-3-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[1-acetyl-5-[(2-cyclopentylacetyl)amino]indol-3-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[1-acetyl-5-[(2-cyclopentyl-1-oxoethyl)amino]-3-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[1-acetyl-5-[(2-cyclopentylacetyl)amino]indol-3-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[1-acetyl-5-[(2-cyclopentylacetyl)amino]indol-3-yl]methyl]-3-methoxy-benzoic acid Formula: C26H28N2O5 MolecularWeight: 448.51092

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=C(C2=C1C=CC(=C2)NC(=O)CC3CCCC3)CC4=C(C=C(C=C4)C(=O)O)OC

Isomeric SMILES

CC(=O)N1C=C(C2=C1C=CC(=C2)NC(=O)CC3CCCC3)CC4=C(C=C(C=C4)C(=O)O)OC

InChI

InChI=1S/C26H28N2O5/c1-16(29)28-15-20(12-18-7-8-19(26(31)32)13-24(18)33-2)22-14-21(9-10-23(22)28)27-25(30)11-17-5-3-4-6-17/h7-10,13-15,17H,3-6,11-12H2,1-2H3,(H,27,30)(H,31,32)