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

Systemtic Name: phenethyl 4-(6-chloranyl-1,3-benzodioxol-5-yl)-2-methyl-5-oxidanylidene-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: phenethyl 4-(6-chloro-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(6-chloro-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 4-(6-chloro-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(6-chloro-1,3-benzodioxol-5-yl)-5-keto-2-methyl-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid phenethyl ester Formula: C32H28ClNO5 MolecularWeight: 542.02142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CC=C3)C4=CC5=C(C=C4Cl)OCO5)C(=O)OCCC6=CC=CC=C6

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CC=C3)C4=CC5=C(C=C4Cl)OCO5)C(=O)OCCC6=CC=CC=C6

InChI

InChI=1S/C32H28ClNO5/c1-19-29(32(36)37-13-12-20-8-4-2-5-9-20)30(23-16-27-28(17-24(23)33)39-18-38-27)31-25(34-19)14-22(15-26(31)35)21-10-6-3-7-11-21/h2-11,14,16-17,22,30-31,34H,12-13,15,18H2,1H3