ethanedioic acid; propan-2-yl 3-[3-[4-(7-methoxy-2-methyl-1-oxidanylidene-isoquinolin-3-yl)phenoxy]propylamino]propanoate

Systemtic Name: ethanedioic acid; propan-2-yl 3-[3-[4-(7-methoxy-2-methyl-1-oxidanylidene-isoquinolin-3-yl)phenoxy]propylamino]propanoate Openeye Name: isopropyl 3-[3-[4-(7-methoxy-2-methyl-1-oxo-3-isoquinolyl)phenoxy]propylamino]propanoate; oxalic acid CAS Name: 3-[3-[4-(7-methoxy-2-methyl-1-oxo-3-isoquinolinyl)phenoxy]propylamino]propanoic acid propan-2-yl ester; oxalic acid IUPAC Name: oxalic acid; propan-2-yl 3-[3-[4-(7-methoxy-2-methyl-1-oxoisoquinolin-3-yl)phenoxy]propylamino]propanoate Traditional Name: 3-[3-[4-(1-keto-7-methoxy-2-methyl-3-isoquinolyl)phenoxy]propylamino]propionic acid isopropyl ester; oxalic acid Formula: C28H34N2O9 MolecularWeight: 542.57756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CCNCCCOC1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)OC)C(=O)N2C.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)OC(=O)CCNCCCOC1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)OC)C(=O)N2C.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H32N2O5.C2H2O4/c1-18(2)33-25(29)12-14-27-13-5-15-32-21-9-6-19(7-10-21)24-16-20-8-11-22(31-4)17-23(20)26(30)28(24)3;3-1(4)2(5)6/h6-11,16-18,27H,5,12-15H2,1-4H3;(H,3,4)(H,5,6)