(1R,6S)-4-chloranyl-6-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methylcarbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6S)-4-chloranyl-6-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methylcarbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-4-chloro-6-[[(1R)-isochroman-1-yl]methylcarbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-4-chloro-6-[[[(1R)-3,4-dihydro-1H-2-benzopyran-1-yl]methylamino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-4-chloro-6-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methylcarbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-4-chloro-6-[[(1R)-isochroman-1-yl]methylcarbamoyl]cyclohex-3-ene-1-carboxylate Formula: C18H19ClNO4- MolecularWeight: 348.80076

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=CC=CC=C21)CNC(=O)C3CC(=CCC3C(=O)[O-])Cl

Isomeric SMILES

C1CO[C@H](C2=CC=CC=C21)CNC(=O)[C@H]3CC(=CC[C@H]3C(=O)[O-])Cl

InChI

InChI=1S/C18H20ClNO4/c19-12-5-6-14(18(22)23)15(9-12)17(21)20-10-16-13-4-2-1-3-11(13)7-8-24-16/h1-5,14-16H,6-10H2,(H,20,21)(H,22,23)/p-1/t14-,15+,16+/m1/s1