pentyl (4S)-2-methyl-5-oxidanylidene-4-(4-oxidanylidenechromen-3-yl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: pentyl (4S)-2-methyl-5-oxidanylidene-4-(4-oxidanylidenechromen-3-yl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: pentyl (4S)-2-methyl-5-oxo-4-(4-oxochromen-3-yl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S)-2-methyl-5-oxo-4-(4-oxo-1-benzopyran-3-yl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid pentyl ester IUPAC Name: pentyl (4S)-2-methyl-5-oxo-4-(4-oxochromen-3-yl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S)-5-keto-4-(4-ketochromen-3-yl)-2-methyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid amyl ester Formula: C25H27NO5 MolecularWeight: 421.48558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1C(C2=C(CCCC2=O)N=C1C)C3=COC4=CC=CC=C4C3=O

Isomeric SMILES

CCCCCOC(=O)C1[C@@H](C2=C(CCCC2=O)N=C1C)C3=COC4=CC=CC=C4C3=O

InChI

InChI=1S/C25H27NO5/c1-3-4-7-13-30-25(29)21-15(2)26-18-10-8-11-19(27)23(18)22(21)17-14-31-20-12-6-5-9-16(20)24(17)28/h5-6,9,12,14,21-22H,3-4,7-8,10-11,13H2,1-2H3/t21?,22-/m0/s1