[6-[(6-methoxy-2-methyl-4-phenyl-1H-isoquinolin-3-yl)carbonylamino]-6-oxidanylidene-hexyl]carbamic acid

Systemtic Name: [6-[(6-methoxy-2-methyl-4-phenyl-1H-isoquinolin-3-yl)carbonylamino]-6-oxidanylidene-hexyl]carbamic acid Openeye Name: [6-[(6-methoxy-2-methyl-4-phenyl-1H-isoquinoline-3-carbonyl)amino]-6-oxo-hexyl]carbamic acid CAS Name: [6-[[(6-methoxy-2-methyl-4-phenyl-1H-isoquinolin-3-yl)-oxomethyl]amino]-6-oxohexyl]carbamic acid IUPAC Name: [6-[(6-methoxy-2-methyl-4-phenyl-1H-isoquinoline-3-carbonyl)amino]-6-oxohexyl]carbamic acid Traditional Name: [6-keto-6-[(6-methoxy-2-methyl-4-phenyl-1H-isoquinoline-3-carbonyl)amino]hexyl]carbamic acid Formula: C25H29N3O5 MolecularWeight: 451.51486

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C=C(C=C2)OC)C(=C1C(=O)NC(=O)CCCCCNC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CN1CC2=C(C=C(C=C2)OC)C(=C1C(=O)NC(=O)CCCCCNC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C25H29N3O5/c1-28-16-18-12-13-19(33-2)15-20(18)22(17-9-5-3-6-10-17)23(28)24(30)27-21(29)11-7-4-8-14-26-25(31)32/h3,5-6,9-10,12-13,15,26H,4,7-8,11,14,16H2,1-2H3,(H,31,32)(H,27,29,30)