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

Systemtic Name: 4-[[5-(2-cyclopentylethanoylamino)-1-propyl-indol-3-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[5-[(2-cyclopentylacetyl)amino]-1-propyl-indol-3-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[5-[(2-cyclopentyl-1-oxoethyl)amino]-1-propyl-3-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[5-[(2-cyclopentylacetyl)amino]-1-propylindol-3-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[5-[(2-cyclopentylacetyl)amino]-1-propyl-indol-3-yl]methyl]-3-methoxy-benzoic acid Formula: C27H32N2O4 MolecularWeight: 448.55398

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C2=C1C=CC(=C2)NC(=O)CC3CCCC3)CC4=C(C=C(C=C4)C(=O)O)OC

Isomeric SMILES

CCCN1C=C(C2=C1C=CC(=C2)NC(=O)CC3CCCC3)CC4=C(C=C(C=C4)C(=O)O)OC

InChI

InChI=1S/C27H32N2O4/c1-3-12-29-17-21(14-19-8-9-20(27(31)32)15-25(19)33-2)23-16-22(10-11-24(23)29)28-26(30)13-18-6-4-5-7-18/h8-11,15-18H,3-7,12-14H2,1-2H3,(H,28,30)(H,31,32)