methyl (4S)-4-(4-bromophenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-7-carboxylate

Systemtic Name: methyl (4S)-4-(4-bromophenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-7-carboxylate Openeye Name: methyl (4S)-4-(4-bromophenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-7-carboxylate CAS Name: (4S)-4-(4-bromophenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-7-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(4-bromophenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-7-carboxylate Traditional Name: (4S)-4-(4-bromophenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-7-carboxylic acid methyl ester Formula: C21H20BrNO2 MolecularWeight: 398.293

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1NC(C3C2C=CC3)C4=CC=C(C=C4)Br)C(=O)OC

Isomeric SMILES

CC1=C(C=CC2=C1N[C@@H](C3C2C=CC3)C4=CC=C(C=C4)Br)C(=O)OC

InChI

InChI=1S/C21H20BrNO2/c1-12-15(21(24)25-2)10-11-18-16-4-3-5-17(16)20(23-19(12)18)13-6-8-14(22)9-7-13/h3-4,6-11,16-17,20,23H,5H2,1-2H3/t16?,17?,20-/m1/s1