naphthalen-2-yl 4-[(1R,3S)-1-(aminomethyl)-6-methyl-5-oxidanyl-3,4-dihydro-1H-isochromen-3-yl]piperidine-1-carboxylate

Systemtic Name: naphthalen-2-yl 4-[(1R,3S)-1-(aminomethyl)-6-methyl-5-oxidanyl-3,4-dihydro-1H-isochromen-3-yl]piperidine-1-carboxylate Openeye Name: 2-naphthyl 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 2-naphthalenyl ester IUPAC Name: naphthalen-2-yl 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 2-naphthyl ester Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(OC(C2)C3CCN(CC3)C(=O)OC4=CC5=CC=CC=C5C=C4)CN)O

Isomeric SMILES

CC1=C(C2=C(C=C1)[C@@H](O[C@@H](C2)C3CCN(CC3)C(=O)OC4=CC5=CC=CC=C5C=C4)CN)O

InChI

InChI=1S/C27H30N2O4/c1-17-6-9-22-23(26(17)30)15-24(33-25(22)16-28)19-10-12-29(13-11-19)27(31)32-21-8-7-18-4-2-3-5-20(18)14-21/h2-9,14,19,24-25,30H,10-13,15-16,28H2,1H3/t24-,25-/m0/s1