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

Systemtic Name: methyl 4-[[2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]carbamoyl]benzoate Openeye Name: methyl 4-[(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]benzoate CAS Name: 4-[[(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]benzoate Traditional Name: 4-[(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]benzoic acid methyl ester Formula: C25H22N2O4 MolecularWeight: 414.45318

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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)C4=CC=CC=C4)C=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC2=CC3=C(CCN(C3)C(=O)C4=CC=CC=C4)C=C2

InChI

InChI=1S/C25H22N2O4/c1-31-25(30)20-9-7-18(8-10-20)23(28)26-22-12-11-17-13-14-27(16-21(17)15-22)24(29)19-5-3-2-4-6-19/h2-12,15H,13-14,16H2,1H3,(H,26,28)