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

Systemtic Name: ethyl 3-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]carbonylamino]-2-methyl-benzoate Openeye Name: ethyl 3-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzoyl]amino]-2-methyl-benzoate CAS Name: 3-[[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]-oxomethyl]amino]-2-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzoyl]amino]-2-methylbenzoate Traditional Name: 3-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzoyl]amino]-2-methyl-benzoic acid ethyl ester Formula: C27H28N2O3 MolecularWeight: 428.52282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O3/c1-3-32-27(31)24-9-6-10-25(19(24)2)28-26(30)22-13-11-20(12-14-22)17-29-16-15-21-7-4-5-8-23(21)18-29/h4-14H,3,15-18H2,1-2H3,(H,28,30)