methyl 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]carbamoyl]benzoate Openeye Name: methyl 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]carbamoyl]benzoate CAS Name: 4-[[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methyl-2-pyrrolyl)ethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]carbamoyl]benzoate Traditional Name: 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]carbamoyl]benzoic acid methyl ester Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(CNC(=O)C2=CC=C(C=C2)C(=O)OC)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CN1C=CC=C1C(CNC(=O)C2=CC=C(C=C2)C(=O)OC)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H27N3O3/c1-27-14-5-8-22(27)23(28-15-13-18-6-3-4-7-21(18)17-28)16-26-24(29)19-9-11-20(12-10-19)25(30)31-2/h3-12,14,23H,13,15-17H2,1-2H3,(H,26,29)