3-phenylpropyl (3S,4R)-4-(2-bromophenyl)-2-methylidene-6-oxidanylidene-piperidine-3-carboxylate

Systemtic Name: 3-phenylpropyl (3S,4R)-4-(2-bromophenyl)-2-methylidene-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: 3-phenylpropyl (3S,4R)-4-(2-bromophenyl)-2-methylene-6-oxo-piperidine-3-carboxylate CAS Name: (3S,4R)-4-(2-bromophenyl)-2-methylene-6-oxo-3-piperidinecarboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl (3S,4R)-4-(2-bromophenyl)-2-methylidene-6-oxopiperidine-3-carboxylate Traditional Name: (3S,4R)-4-(2-bromophenyl)-6-keto-2-methylene-nipecotic acid 3-phenylpropyl ester Formula: C22H22BrNO3 MolecularWeight: 428.31898

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(CC(=O)N1)C2=CC=CC=C2Br)C(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

C=C1[C@H]([C@@H](CC(=O)N1)C2=CC=CC=C2Br)C(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C22H22BrNO3/c1-15-21(22(26)27-13-7-10-16-8-3-2-4-9-16)18(14-20(25)24-15)17-11-5-6-12-19(17)23/h2-6,8-9,11-12,18,21H,1,7,10,13-14H2,(H,24,25)/t18-,21+/m0/s1