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

Systemtic Name: 4-[[3-butanoyl-6-(2-cyclopentylethanoylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[3-butanoyl-6-[(2-cyclopentylacetyl)amino]indol-1-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[6-[(2-cyclopentyl-1-oxoethyl)amino]-3-(1-oxobutyl)-1-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[3-butanoyl-6-[(2-cyclopentylacetyl)amino]indol-1-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[3-butyryl-6-[(2-cyclopentylacetyl)amino]indol-1-yl]methyl]-3-methoxy-benzoic acid Formula: C28H32N2O5 MolecularWeight: 476.56408

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CN(C2=C1C=CC(=C2)NC(=O)CC3CCCC3)CC4=C(C=C(C=C4)C(=O)O)OC

Isomeric SMILES

CCCC(=O)C1=CN(C2=C1C=CC(=C2)NC(=O)CC3CCCC3)CC4=C(C=C(C=C4)C(=O)O)OC

InChI

InChI=1S/C28H32N2O5/c1-3-6-25(31)23-17-30(16-20-10-9-19(28(33)34)14-26(20)35-2)24-15-21(11-12-22(23)24)29-27(32)13-18-7-4-5-8-18/h9-12,14-15,17-18H,3-8,13,16H2,1-2H3,(H,29,32)(H,33,34)