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

Systemtic Name: methyl 4-chloranyl-2-[[2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]benzoate Openeye Name: methyl 2-[(2-benzoyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)amino]-4-chloro-benzoate CAS Name: 2-[[(2-benzoyl-3,4-dihydro-1H-isoquinolin-3-yl)-oxomethyl]amino]-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 2-[(2-benzoyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)amino]-4-chlorobenzoate Traditional Name: 2-[(2-benzoyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)amino]-4-chloro-benzoic acid methyl ester Formula: C25H21ClN2O4 MolecularWeight: 448.89824

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)Cl)NC(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)Cl)NC(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H21ClN2O4/c1-32-25(31)20-12-11-19(26)14-21(20)27-23(29)22-13-17-9-5-6-10-18(17)15-28(22)24(30)16-7-3-2-4-8-16/h2-12,14,22H,13,15H2,1H3,(H,27,29)