2-[(1-methyl-7-phenoxy-4-phenylmethoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid

Systemtic Name: 2-[(1-methyl-7-phenoxy-4-phenylmethoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(4-benzyloxy-1-methyl-7-phenoxy-isoquinoline-3-carbonyl)amino]acetic acid CAS Name: 2-[[(1-methyl-7-phenoxy-4-phenylmethoxy-3-isoquinolinyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(1-methyl-7-phenoxy-4-phenylmethoxyisoquinoline-3-carbonyl)amino]acetic acid Traditional Name: 2-[(4-benzoxy-1-methyl-7-phenoxy-isoquinoline-3-carbonyl)amino]acetic acid Formula: C26H22N2O5 MolecularWeight: 442.46328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C2=C1C=C(C=C2)OC3=CC=CC=C3)OCC4=CC=CC=C4)C(=O)NCC(=O)O

Isomeric SMILES

CC1=NC(=C(C2=C1C=C(C=C2)OC3=CC=CC=C3)OCC4=CC=CC=C4)C(=O)NCC(=O)O

InChI

InChI=1S/C26H22N2O5/c1-17-22-14-20(33-19-10-6-3-7-11-19)12-13-21(22)25(32-16-18-8-4-2-5-9-18)24(28-17)26(31)27-15-23(29)30/h2-14H,15-16H2,1H3,(H,27,31)(H,29,30)