(phenylmethyl) (3S,4R)-2-methylidene-6-oxidanylidene-4-(2-propan-2-yloxyphenyl)piperidine-3-carboxylate

Systemtic Name: (phenylmethyl) (3S,4R)-2-methylidene-6-oxidanylidene-4-(2-propan-2-yloxyphenyl)piperidine-3-carboxylate Openeye Name: benzyl (3S,4R)-4-(2-isopropoxyphenyl)-2-methylene-6-oxo-piperidine-3-carboxylate CAS Name: (3S,4R)-2-methylene-6-oxo-4-(2-propan-2-yloxyphenyl)-3-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3S,4R)-2-methylidene-6-oxo-4-(2-propan-2-yloxyphenyl)piperidine-3-carboxylate Traditional Name: (3S,4R)-4-(2-isopropoxyphenyl)-6-keto-2-methylene-nipecotic acid benzyl ester Formula: C23H25NO4 MolecularWeight: 379.4489

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1C2CC(=O)NC(=C)C2C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)OC1=CC=CC=C1[C@@H]2CC(=O)NC(=C)[C@H]2C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H25NO4/c1-15(2)28-20-12-8-7-11-18(20)19-13-21(25)24-16(3)22(19)23(26)27-14-17-9-5-4-6-10-17/h4-12,15,19,22H,3,13-14H2,1-2H3,(H,24,25)/t19-,22+/m0/s1