[7-azanyl-3-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-1-methyl-2-oxidanylidene-quinolin-4-yl] benzoate

Systemtic Name: [7-azanyl-3-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-1-methyl-2-oxidanylidene-quinolin-4-yl] benzoate Openeye Name: [7-amino-3-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-1-methyl-2-oxo-4-quinolyl] benzoate CAS Name: benzoic acid [7-amino-3-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-1-methyl-2-oxo-4-quinolinyl] ester IUPAC Name: [7-amino-3-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-1-methyl-2-oxoquinolin-4-yl] benzoate Traditional Name: benzoic acid [7-amino-3-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-2-keto-1-methyl-4-quinolyl] ester Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCOC1=C(C2=C(C=C(C=C2)N)N(C1=O)C)OC(=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CC(=CCC/C(=C\COC1=C(C2=C(C=C(C=C2)N)N(C1=O)C)OC(=O)C3=CC=CC=C3)/C)C

InChI

InChI=1S/C27H30N2O4/c1-18(2)9-8-10-19(3)15-16-32-25-24(33-27(31)20-11-6-5-7-12-20)22-14-13-21(28)17-23(22)29(4)26(25)30/h5-7,9,11-15,17H,8,10,16,28H2,1-4H3/b19-15-