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

Systemtic Name: phenyl 4-[(1R,3S)-1-(aminomethyl)-6-methyl-5-oxidanyl-3,4-dihydro-1H-isochromen-3-yl]piperidine-1-carboxylate Openeye Name: phenyl 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 phenyl ester IUPAC Name: phenyl 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 phenyl ester Formula: C23H28N2O4 MolecularWeight: 396.47942

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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=CC=C4)CN)O

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O4/c1-15-7-8-18-19(22(15)26)13-20(29-21(18)14-24)16-9-11-25(12-10-16)23(27)28-17-5-3-2-4-6-17/h2-8,16,20-21,26H,9-14,24H2,1H3/t20-,21-/m0/s1