ethyl 4-[[5-(4-methylphenyl)isoquinolin-8-yl]methylcarbamoylamino]benzoate

Systemtic Name: ethyl 4-[[5-(4-methylphenyl)isoquinolin-8-yl]methylcarbamoylamino]benzoate Openeye Name: ethyl 4-[[5-(p-tolyl)-8-isoquinolyl]methylcarbamoylamino]benzoate CAS Name: 4-[[[[5-(4-methylphenyl)-8-isoquinolinyl]methylamino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-(4-methylphenyl)isoquinolin-8-yl]methylcarbamoylamino]benzoate Traditional Name: 4-[[5-(p-tolyl)-8-isoquinolyl]methylcarbamoylamino]benzoic acid ethyl ester Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)NCC2=C3C=NC=CC3=C(C=C2)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)NCC2=C3C=NC=CC3=C(C=C2)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H25N3O3/c1-3-33-26(31)20-8-11-22(12-9-20)30-27(32)29-16-21-10-13-23(19-6-4-18(2)5-7-19)24-14-15-28-17-25(21)24/h4-15,17H,3,16H2,1-2H3,(H2,29,30,32)