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

Systemtic Name: ethyl 4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]carbonylamino]-3-methyl-benzoate Openeye Name: ethyl 4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzoyl]amino]-3-methyl-benzoate CAS Name: 4-[[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]-oxomethyl]amino]-3-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzoyl]amino]-3-methylbenzoate Traditional Name: 4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzoyl]amino]-3-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)NC(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3)C

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O3/c1-3-32-27(31)23-12-13-25(19(2)16-23)28-26(30)22-10-8-20(9-11-22)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)