methyl 4-[(2-cyclopropylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]benzoate

Systemtic Name: methyl 4-[(2-cyclopropylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]benzoate Openeye Name: methyl 4-[[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]carbamoyl]benzoate CAS Name: 4-[[[2-[cyclopropyl(oxo)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]carbamoyl]benzoate Traditional Name: 4-[[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]carbamoyl]benzoic acid methyl ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC2=CC3=C(CCN(C3)C(=O)C4CC4)C=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC2=CC3=C(CCN(C3)C(=O)C4CC4)C=C2

InChI

InChI=1S/C22H22N2O4/c1-28-22(27)17-6-2-15(3-7-17)20(25)23-19-9-8-14-10-11-24(13-18(14)12-19)21(26)16-4-5-16/h2-3,6-9,12,16H,4-5,10-11,13H2,1H3,(H,23,25)