(4-methoxyphenyl) 4-[(1R,3S)-1-(aminomethyl)-6-methyl-5-oxidanyl-3,4-dihydro-1H-isochromen-3-yl]piperidine-1-carboxylate

Systemtic Name: (4-methoxyphenyl) 4-[(1R,3S)-1-(aminomethyl)-6-methyl-5-oxidanyl-3,4-dihydro-1H-isochromen-3-yl]piperidine-1-carboxylate Openeye Name: (4-methoxyphenyl) 4-[(1R,3S)-1-(aminomethyl)-5-hydroxy-6-methyl-isochroman-3-yl]piperidine-1-carboxylate CAS Name: 4-[(1R,3S)-1-(aminomethyl)-5-hydroxy-6-methyl-3,4-dihydro-1H-2-benzopyran-3-yl]-1-piperidinecarboxylic acid (4-methoxyphenyl) ester IUPAC Name: (4-methoxyphenyl) 4-[(1R,3S)-1-(aminomethyl)-5-hydroxy-6-methyl-3,4-dihydro-1H-isochromen-3-yl]piperidine-1-carboxylate Traditional Name: 4-[(1R,3S)-1-(aminomethyl)-5-hydroxy-6-methyl-isochroman-3-yl]piperidine-1-carboxylic acid (4-methoxyphenyl) ester Formula: C24H30N2O5 MolecularWeight: 426.5054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(OC(C2)C3CCN(CC3)C(=O)OC4=CC=C(C=C4)OC)CN)O

Isomeric SMILES

CC1=C(C2=C(C=C1)[C@@H](O[C@@H](C2)C3CCN(CC3)C(=O)OC4=CC=C(C=C4)OC)CN)O

InChI

InChI=1S/C24H30N2O5/c1-15-3-8-19-20(23(15)27)13-21(31-22(19)14-25)16-9-11-26(12-10-16)24(28)30-18-6-4-17(29-2)5-7-18/h3-8,16,21-22,27H,9-14,25H2,1-2H3/t21-,22-/m0/s1