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

Systemtic Name: phenethyl 2-methyl-5-oxidanylidene-4-(4-oxidanylidenechromen-3-yl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 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 phenethyl ester Formula: C28H25NO5 MolecularWeight: 455.5018

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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)OCCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(C2C(=O)CCC=C2N1)C3=COC4=CC=CC=C4C3=O)C(=O)OCCC5=CC=CC=C5

InChI

InChI=1S/C28H25NO5/c1-17-24(28(32)33-15-14-18-8-3-2-4-9-18)25(26-21(29-17)11-7-12-22(26)30)20-16-34-23-13-6-5-10-19(23)27(20)31/h2-6,8-11,13,16,25-26,29H,7,12,14-15H2,1H3