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

Systemtic Name: (phenylmethyl) 4-[(1R,3S)-1-(aminomethyl)-6-methyl-5-oxidanyl-3,4-dihydro-1H-isochromen-3-yl]piperidine-1-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C24H30N2O4 MolecularWeight: 410.506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(OC(C2)C3CCN(CC3)C(=O)OCC4=CC=CC=C4)CN)O

Isomeric SMILES

CC1=C(C2=C(C=C1)[C@@H](O[C@@H](C2)C3CCN(CC3)C(=O)OCC4=CC=CC=C4)CN)O

InChI

InChI=1S/C24H30N2O4/c1-16-7-8-19-20(23(16)27)13-21(30-22(19)14-25)18-9-11-26(12-10-18)24(28)29-15-17-5-3-2-4-6-17/h2-8,18,21-22,27H,9-15,25H2,1H3/t21-,22-/m0/s1