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

Systemtic Name: methyl 4-[(1R,3S)-1-(aminomethyl)-6-methyl-5-oxidanyl-3,4-dihydro-1H-isochromen-3-yl]piperidine-1-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H26N2O4 MolecularWeight: 334.41004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O4/c1-11-3-4-13-14(17(11)21)9-15(24-16(13)10-19)12-5-7-20(8-6-12)18(22)23-2/h3-4,12,15-16,21H,5-10,19H2,1-2H3/t15-,16-/m0/s1