methyl (3R,4S)-2,2-dimethyl-3-oxidanyl-4-piperidin-1-yl-3,4-dihydrochromene-6-carboxylate

Systemtic Name: methyl (3R,4S)-2,2-dimethyl-3-oxidanyl-4-piperidin-1-yl-3,4-dihydrochromene-6-carboxylate Openeye Name: methyl (3R,4S)-3-hydroxy-2,2-dimethyl-4-(1-piperidyl)chromane-6-carboxylate CAS Name: (3R,4S)-3-hydroxy-2,2-dimethyl-4-(1-piperidinyl)-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid methyl ester IUPAC Name: methyl (3R,4S)-3-hydroxy-2,2-dimethyl-4-piperidin-1-yl-3,4-dihydrochromene-6-carboxylate Traditional Name: (3R,4S)-3-hydroxy-2,2-dimethyl-4-piperidino-chroman-6-carboxylic acid methyl ester Formula: C18H25NO4 MolecularWeight: 319.3954

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C(=O)OC)N3CCCCC3)O)C

Isomeric SMILES

CC1([C@@H]([C@H](C2=C(O1)C=CC(=C2)C(=O)OC)N3CCCCC3)O)C

InChI

InChI=1S/C18H25NO4/c1-18(2)16(20)15(19-9-5-4-6-10-19)13-11-12(17(21)22-3)7-8-14(13)23-18/h7-8,11,15-16,20H,4-6,9-10H2,1-3H3/t15-,16+/m0/s1