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

Systemtic Name: methyl 4-[(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]benzoate Openeye Name: methyl 4-[(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]benzoate CAS Name: 4-[oxo-[[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]benzoate Traditional Name: 4-[(2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]benzoic acid methyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H22N2O4/c1-3-19(24)23-11-10-14-8-9-18(12-17(14)13-23)22-20(25)15-4-6-16(7-5-15)21(26)27-2/h4-9,12H,3,10-11,13H2,1-2H3,(H,22,25)