[6-(7-azanyl-1-methyl-3-octoxy-2-oxidanylidene-quinolin-4-yl)oxy-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]methyl benzoate

Systemtic Name: [6-(7-azanyl-1-methyl-3-octoxy-2-oxidanylidene-quinolin-4-yl)oxy-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]methyl benzoate Openeye Name: [6-[(7-amino-1-methyl-3-octoxy-2-oxo-4-quinolyl)oxy]-3,4,5-tribenzoyloxy-tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [6-[(7-amino-1-methyl-3-octoxy-2-oxo-4-quinolinyl)oxy]-3,4,5-tribenzoyloxy-2-oxanyl]methyl ester IUPAC Name: [6-(7-amino-1-methyl-3-octoxy-2-oxoquinolin-4-yl)oxy-3,4,5-tribenzoyloxyoxan-2-yl]methyl benzoate Traditional Name: benzoic acid [6-[(7-amino-2-keto-1-methyl-3-octoxy-4-quinolyl)oxy]-3,4,5-tribenzoyloxy-tetrahydropyran-2-yl]methyl ester Formula: C52H52N2O12 MolecularWeight: 896.97548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C2=C(C=C(C=C2)N)N(C1=O)C)OC3C(C(C(C(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7

Isomeric SMILES

CCCCCCCCOC1=C(C2=C(C=C(C=C2)N)N(C1=O)C)OC3C(C(C(C(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7

InChI

InChI=1S/C52H52N2O12/c1-3-4-5-6-7-20-31-60-45-42(39-30-29-38(53)32-40(39)54(2)47(45)55)66-52-46(65-51(59)37-27-18-11-19-28-37)44(64-50(58)36-25-16-10-17-26-36)43(63-49(57)35-23-14-9-15-24-35)41(62-52)33-61-48(56)34-21-12-8-13-22-34/h8-19,21-30,32,41,43-44,46,52H,3-7,20,31,33,53H2,1-2H3