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

Systemtic Name: 1-[4-[(1R,3S)-1-(aminomethyl)-6-methyl-5-oxidanyl-3,4-dihydro-1H-isochromen-3-yl]piperidin-1-yl]-3-phenyl-propan-1-one Openeye Name: 1-[4-[(1R,3S)-1-(aminomethyl)-5-hydroxy-6-methyl-isochroman-3-yl]-1-piperidyl]-3-phenyl-propan-1-one CAS Name: 1-[4-[(1R,3S)-1-(aminomethyl)-5-hydroxy-6-methyl-3,4-dihydro-1H-2-benzopyran-3-yl]-1-piperidinyl]-3-phenyl-1-propanone IUPAC Name: 1-[4-[(1R,3S)-1-(aminomethyl)-5-hydroxy-6-methyl-3,4-dihydro-1H-isochromen-3-yl]piperidin-1-yl]-3-phenylpropan-1-one Traditional Name: 1-[4-[(1R,3S)-1-(aminomethyl)-5-hydroxy-6-methyl-isochroman-3-yl]piperidino]-3-phenyl-propan-1-one Formula: C25H32N2O3 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(OC(C2)C3CCN(CC3)C(=O)CCC4=CC=CC=C4)CN)O

Isomeric SMILES

CC1=C(C2=C(C=C1)[C@@H](O[C@@H](C2)C3CCN(CC3)C(=O)CCC4=CC=CC=C4)CN)O

InChI

InChI=1S/C25H32N2O3/c1-17-7-9-20-21(25(17)29)15-22(30-23(20)16-26)19-11-13-27(14-12-19)24(28)10-8-18-5-3-2-4-6-18/h2-7,9,19,22-23,29H,8,10-16,26H2,1H3/t22-,23-/m0/s1