ethyl 2-[[5-(4-ethoxyphenyl)isoquinolin-8-yl]methylcarbamoylamino]ethanoate

Systemtic Name: ethyl 2-[[5-(4-ethoxyphenyl)isoquinolin-8-yl]methylcarbamoylamino]ethanoate Openeye Name: ethyl 2-[[5-(4-ethoxyphenyl)-8-isoquinolyl]methylcarbamoylamino]acetate CAS Name: 2-[[[[5-(4-ethoxyphenyl)-8-isoquinolinyl]methylamino]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-(4-ethoxyphenyl)isoquinolin-8-yl]methylcarbamoylamino]acetate Traditional Name: 2-[(5-p-phenetyl-8-isoquinolyl)methylcarbamoylamino]acetic acid ethyl ester Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C3C=CN=CC3=C(C=C2)CNC(=O)NCC(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C3C=CN=CC3=C(C=C2)CNC(=O)NCC(=O)OCC

InChI

InChI=1S/C23H25N3O4/c1-3-29-18-8-5-16(6-9-18)19-10-7-17(21-14-24-12-11-20(19)21)13-25-23(28)26-15-22(27)30-4-2/h5-12,14H,3-4,13,15H2,1-2H3,(H2,25,26,28)