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

Systemtic Name: ethyl 2-chloranyl-4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]carbonylamino]benzoate Openeye Name: ethyl 2-chloro-4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzoyl]amino]benzoate CAS Name: 2-chloro-4-[[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-chloro-4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzoyl]amino]benzoate Traditional Name: 2-chloro-4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzoyl]amino]benzoic acid ethyl ester Formula: C26H25ClN2O3 MolecularWeight: 448.9413

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25ClN2O3/c1-2-32-26(31)23-12-11-22(15-24(23)27)28-25(30)20-9-7-18(8-10-20)16-29-14-13-19-5-3-4-6-21(19)17-29/h3-12,15H,2,13-14,16-17H2,1H3,(H,28,30)