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

Systemtic Name: methyl 4-[[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]carbamoyl]benzoate Openeye Name: methyl 4-[[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]carbamoyl]benzoate CAS Name: 4-[[[2-(2-methyl-1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]carbamoyl]benzoate Traditional Name: 4-[(2-isobutyryl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]benzoic acid methyl ester Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4/c1-14(2)21(26)24-11-10-15-8-9-19(12-18(15)13-24)23-20(25)16-4-6-17(7-5-16)22(27)28-3/h4-9,12,14H,10-11,13H2,1-3H3,(H,23,25)