methyl (3R,4S)-2,2,4-trimethyl-3-oxidanyl-4-pyrrolidin-1-yl-3H-chromene-6-carboxylate

Systemtic Name: methyl (3R,4S)-2,2,4-trimethyl-3-oxidanyl-4-pyrrolidin-1-yl-3H-chromene-6-carboxylate Openeye Name: methyl (3R,4S)-3-hydroxy-2,2,4-trimethyl-4-pyrrolidin-1-yl-chromane-6-carboxylate CAS Name: (3R,4S)-3-hydroxy-2,2,4-trimethyl-4-(1-pyrrolidinyl)-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid methyl ester IUPAC Name: methyl (3R,4S)-3-hydroxy-2,2,4-trimethyl-4-pyrrolidin-1-yl-3H-chromene-6-carboxylate Traditional Name: (3R,4S)-3-hydroxy-2,2,4-trimethyl-4-pyrrolidino-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)(C)N3CCCC3)O)C

Isomeric SMILES

C[C@]1([C@H](C(OC2=C1C=C(C=C2)C(=O)OC)(C)C)O)N3CCCC3

InChI

InChI=1S/C18H25NO4/c1-17(2)16(21)18(3,19-9-5-6-10-19)13-11-12(15(20)22-4)7-8-14(13)23-17/h7-8,11,16,21H,5-6,9-10H2,1-4H3/t16-,18-/m0/s1