3-(2-methyl-1-oxidanylidene-isoquinolin-4-yl)-2-[(4-phenylphenyl)methoxycarbonylamino]propanoic acid

Systemtic Name: 3-(2-methyl-1-oxidanylidene-isoquinolin-4-yl)-2-[(4-phenylphenyl)methoxycarbonylamino]propanoic acid Openeye Name: 3-(2-methyl-1-oxo-4-isoquinolyl)-2-[(4-phenylphenyl)methoxycarbonylamino]propanoic acid CAS Name: 3-(2-methyl-1-oxo-4-isoquinolinyl)-2-[[oxo-[(4-phenylphenyl)methoxy]methyl]amino]propanoic acid IUPAC Name: 3-(2-methyl-1-oxoisoquinolin-4-yl)-2-[(4-phenylphenyl)methoxycarbonylamino]propanoic acid Traditional Name: 3-(1-keto-2-methyl-4-isoquinolyl)-2-[(4-phenylbenzyl)oxycarbonylamino]propionic acid Formula: C27H24N2O5 MolecularWeight: 456.48986

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C2C1=O)CC(C(=O)O)NC(=O)OCC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C=C(C2=CC=CC=C2C1=O)CC(C(=O)O)NC(=O)OCC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H24N2O5/c1-29-16-21(22-9-5-6-10-23(22)25(29)30)15-24(26(31)32)28-27(33)34-17-18-11-13-20(14-12-18)19-7-3-2-4-8-19/h2-14,16,24H,15,17H2,1H3,(H,28,33)(H,31,32)