cycloheptyl 2-methyl-5-oxidanylidene-4-(4-oxidanylidenechromen-3-yl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: cycloheptyl 2-methyl-5-oxidanylidene-4-(4-oxidanylidenechromen-3-yl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: cycloheptyl 2-methyl-5-oxo-4-(4-oxochromen-3-yl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 2-methyl-5-oxo-4-(4-oxo-1-benzopyran-3-yl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid cycloheptyl ester IUPAC Name: cycloheptyl 2-methyl-5-oxo-4-(4-oxochromen-3-yl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 5-keto-4-(4-ketochromen-3-yl)-2-methyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid cycloheptyl ester Formula: C27H29NO5 MolecularWeight: 447.52286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CCC=C2N1)C3=COC4=CC=CC=C4C3=O)C(=O)OC5CCCCCC5

Isomeric SMILES

CC1=C(C(C2C(=O)CCC=C2N1)C3=COC4=CC=CC=C4C3=O)C(=O)OC5CCCCCC5

InChI

InChI=1S/C27H29NO5/c1-16-23(27(31)33-17-9-4-2-3-5-10-17)24(25-20(28-16)12-8-13-21(25)29)19-15-32-22-14-7-6-11-18(22)26(19)30/h6-7,11-12,14-15,17,24-25,28H,2-5,8-10,13H2,1H3