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

Systemtic Name: phenethyl (4S,7S)-4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: phenethyl (4S,7S)-4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: (4S,7S)-4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl (4S,7S)-4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: (4S,7S)-4-(1,3-benzodioxol-5-yl)-5-keto-2-methyl-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid phenethyl ester Formula: C32H29NO5 MolecularWeight: 507.57636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)C(=O)OCCC6=CC=CC=C6

Isomeric SMILES

CC1=C([C@H](C2=C(N1)C[C@@H](CC2=O)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)C(=O)OCCC6=CC=CC=C6

InChI

InChI=1S/C32H29NO5/c1-20-29(32(35)36-15-14-21-8-4-2-5-9-21)30(23-12-13-27-28(18-23)38-19-37-27)31-25(33-20)16-24(17-26(31)34)22-10-6-3-7-11-22/h2-13,18,24,30,33H,14-17,19H2,1H3/t24-,30+/m0/s1