methyl 4-[[5-bromanyl-6-(2-cyclopentylethanoylamino)indol-1-yl]methyl]-3-methoxy-benzoate

Systemtic Name: methyl 4-[[5-bromanyl-6-(2-cyclopentylethanoylamino)indol-1-yl]methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[5-bromo-6-[(2-cyclopentylacetyl)amino]indol-1-yl]methyl]-3-methoxy-benzoate CAS Name: 4-[[5-bromo-6-[(2-cyclopentyl-1-oxoethyl)amino]-1-indolyl]methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[5-bromo-6-[(2-cyclopentylacetyl)amino]indol-1-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[5-bromo-6-[(2-cyclopentylacetyl)amino]indol-1-yl]methyl]-3-methoxy-benzoic acid methyl ester Formula: C25H27BrN2O4 MolecularWeight: 499.39688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)CN2C=CC3=CC(=C(C=C32)NC(=O)CC4CCCC4)Br

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)CN2C=CC3=CC(=C(C=C32)NC(=O)CC4CCCC4)Br

InChI

InChI=1S/C25H27BrN2O4/c1-31-23-13-18(25(30)32-2)7-8-19(23)15-28-10-9-17-12-20(26)21(14-22(17)28)27-24(29)11-16-5-3-4-6-16/h7-10,12-14,16H,3-6,11,15H2,1-2H3,(H,27,29)