[5-acetyloxy-1-(aminomethyl)-3-(1-phenethylpiperidin-4-yl)-3,4-dihydro-1H-isochromen-6-yl] ethanoate

Systemtic Name: [5-acetyloxy-1-(aminomethyl)-3-(1-phenethylpiperidin-4-yl)-3,4-dihydro-1H-isochromen-6-yl] ethanoate Openeye Name: [5-acetoxy-1-(aminomethyl)-3-(1-phenethyl-4-piperidyl)isochroman-6-yl] acetate CAS Name: acetic acid [5-acetyloxy-1-(aminomethyl)-3-(1-phenethyl-4-piperidinyl)-3,4-dihydro-1H-2-benzopyran-6-yl] ester IUPAC Name: [5-acetyloxy-1-(aminomethyl)-3-(1-phenethylpiperidin-4-yl)-3,4-dihydro-1H-isochromen-6-yl] acetate Traditional Name: acetic acid [5-acetoxy-1-(aminomethyl)-3-(1-phenethyl-4-piperidyl)isochroman-6-yl] ester Formula: C27H34N2O5 MolecularWeight: 466.56926

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C2=C(C=C1)C(OC(C2)C3CCN(CC3)CCC4=CC=CC=C4)CN)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C2=C(C=C1)C(OC(C2)C3CCN(CC3)CCC4=CC=CC=C4)CN)OC(=O)C

InChI

InChI=1S/C27H34N2O5/c1-18(30)32-24-9-8-22-23(27(24)33-19(2)31)16-25(34-26(22)17-28)21-11-14-29(15-12-21)13-10-20-6-4-3-5-7-20/h3-9,21,25-26H,10-17,28H2,1-2H3