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

Systemtic Name: [4-[(1R,3S)-1-(aminomethyl)-6-methyl-5-oxidanyl-3,4-dihydro-1H-isochromen-3-yl]piperidin-1-yl]-phenyl-methanone Openeye Name: [4-[(1R,3S)-1-(aminomethyl)-5-hydroxy-6-methyl-isochroman-3-yl]-1-piperidyl]-phenyl-methanone CAS Name: [4-[(1R,3S)-1-(aminomethyl)-5-hydroxy-6-methyl-3,4-dihydro-1H-2-benzopyran-3-yl]-1-piperidinyl]-phenylmethanone IUPAC Name: [4-[(1R,3S)-1-(aminomethyl)-5-hydroxy-6-methyl-3,4-dihydro-1H-isochromen-3-yl]piperidin-1-yl]-phenylmethanone Traditional Name: [4-[(1R,3S)-1-(aminomethyl)-5-hydroxy-6-methyl-isochroman-3-yl]piperidino]-phenyl-methanone Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O3/c1-15-7-8-18-19(22(15)26)13-20(28-21(18)14-24)16-9-11-25(12-10-16)23(27)17-5-3-2-4-6-17/h2-8,16,20-21,26H,9-14,24H2,1H3/t20-,21-/m0/s1