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

Systemtic Name: methyl 4-[[3-butanoyl-6-(2-cyclopentylethanoylamino)indol-1-yl]methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[3-butanoyl-6-[(2-cyclopentylacetyl)amino]indol-1-yl]methyl]-3-methoxy-benzoate CAS Name: 4-[[6-[(2-cyclopentyl-1-oxoethyl)amino]-3-(1-oxobutyl)-1-indolyl]methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[3-butanoyl-6-[(2-cyclopentylacetyl)amino]indol-1-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[3-butyryl-6-[(2-cyclopentylacetyl)amino]indol-1-yl]methyl]-3-methoxy-benzoic acid methyl ester Formula: C29H34N2O5 MolecularWeight: 490.59066

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C29H34N2O5/c1-4-7-26(32)24-18-31(17-21-11-10-20(29(34)36-3)15-27(21)35-2)25-16-22(12-13-23(24)25)30-28(33)14-19-8-5-6-9-19/h10-13,15-16,18-19H,4-9,14,17H2,1-3H3,(H,30,33)