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

Systemtic Name: 4-[(1R,3S)-1-(aminomethyl)-6-methyl-5-oxidanyl-3,4-dihydro-1H-isochromen-3-yl]-N-(3-hydroxyphenyl)piperidine-1-carboxamide Openeye Name: 4-[(1R,3S)-1-(aminomethyl)-5-hydroxy-6-methyl-isochroman-3-yl]-N-(3-hydroxyphenyl)piperidine-1-carboxamide CAS Name: 4-[(1R,3S)-1-(aminomethyl)-5-hydroxy-6-methyl-3,4-dihydro-1H-2-benzopyran-3-yl]-N-(3-hydroxyphenyl)-1-piperidinecarboxamide IUPAC Name: 4-[(1R,3S)-1-(aminomethyl)-5-hydroxy-6-methyl-3,4-dihydro-1H-isochromen-3-yl]-N-(3-hydroxyphenyl)piperidine-1-carboxamide Traditional Name: 4-[(1R,3S)-1-(aminomethyl)-5-hydroxy-6-methyl-isochroman-3-yl]-N-(3-hydroxyphenyl)piperidine-1-carboxamide Formula: C23H29N3O4 MolecularWeight: 411.49406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(OC(C2)C3CCN(CC3)C(=O)NC4=CC(=CC=C4)O)CN)O

Isomeric SMILES

CC1=C(C2=C(C=C1)[C@@H](O[C@@H](C2)C3CCN(CC3)C(=O)NC4=CC(=CC=C4)O)CN)O

InChI

InChI=1S/C23H29N3O4/c1-14-5-6-18-19(22(14)28)12-20(30-21(18)13-24)15-7-9-26(10-8-15)23(29)25-16-3-2-4-17(27)11-16/h2-6,11,15,20-21,27-28H,7-10,12-13,24H2,1H3,(H,25,29)/t20-,21-/m0/s1