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

Systemtic Name: methyl 3-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]carbonylamino]-4-methyl-benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C26H26N2O3 MolecularWeight: 414.49624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C26H26N2O3/c1-18-7-10-22(26(30)31-2)15-24(18)27-25(29)21-11-8-19(9-12-21)16-28-14-13-20-5-3-4-6-23(20)17-28/h3-12,15H,13-14,16-17H2,1-2H3,(H,27,29)