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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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