phenethyl 4-[4-(6-bromanyl-1,3-benzodioxol-5-yl)phenyl]-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: phenethyl 4-[4-(6-bromanyl-1,3-benzodioxol-5-yl)phenyl]-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: phenethyl 4-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 4-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-5-keto-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid phenethyl ester Formula: C32H28BrNO5 MolecularWeight: 586.47242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)C4=CC5=C(C=C4Br)OCO5)C(=O)OCCC6=CC=CC=C6

Isomeric SMILES

CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)C4=CC5=C(C=C4Br)OCO5)C(=O)OCCC6=CC=CC=C6

InChI

InChI=1S/C32H28BrNO5/c1-19-29(32(36)37-15-14-20-6-3-2-4-7-20)30(31-25(34-19)8-5-9-26(31)35)22-12-10-21(11-13-22)23-16-27-28(17-24(23)33)39-18-38-27/h2-4,6-7,10-13,16-17,30,34H,5,8-9,14-15,18H2,1H3