methyl (3R,4S)-2,2-dimethyl-3-oxidanyl-4-(propan-2-ylamino)-3,4-dihydrochromene-6-carboxylate

Systemtic Name: methyl (3R,4S)-2,2-dimethyl-3-oxidanyl-4-(propan-2-ylamino)-3,4-dihydrochromene-6-carboxylate Openeye Name: methyl (3R,4S)-3-hydroxy-4-(isopropylamino)-2,2-dimethyl-chromane-6-carboxylate CAS Name: (3R,4S)-3-hydroxy-2,2-dimethyl-4-(propan-2-ylamino)-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid methyl ester IUPAC Name: methyl (3R,4S)-3-hydroxy-2,2-dimethyl-4-(propan-2-ylamino)-3,4-dihydrochromene-6-carboxylate Traditional Name: (3R,4S)-3-hydroxy-4-(isopropylamino)-2,2-dimethyl-chroman-6-carboxylic acid methyl ester Formula: C16H23NO4 MolecularWeight: 293.35812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1C(C(OC2=C1C=C(C=C2)C(=O)OC)(C)C)O

Isomeric SMILES

CC(C)N[C@@H]1[C@H](C(OC2=C1C=C(C=C2)C(=O)OC)(C)C)O

InChI

InChI=1S/C16H23NO4/c1-9(2)17-13-11-8-10(15(19)20-5)6-7-12(11)21-16(3,4)14(13)18/h6-9,13-14,17-18H,1-5H3/t13-,14+/m0/s1