methyl 2-chloranyl-5-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]carbonylamino]benzoate

Systemtic Name: methyl 2-chloranyl-5-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]carbonylamino]benzoate Openeye Name: methyl 2-chloro-5-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzoyl]amino]benzoate CAS Name: 2-chloro-5-[[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzoyl]amino]benzoate Traditional Name: 2-chloro-5-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzoyl]amino]benzoic acid methyl ester Formula: C25H23ClN2O3 MolecularWeight: 434.91472

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3)Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3)Cl

InChI

InChI=1S/C25H23ClN2O3/c1-31-25(30)22-14-21(10-11-23(22)26)27-24(29)19-8-6-17(7-9-19)15-28-13-12-18-4-2-3-5-20(18)16-28/h2-11,14H,12-13,15-16H2,1H3,(H,27,29)