N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-phenyl-3,4-dihydro-1H-isochromen-1-yl)propan-1-amine

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-phenyl-3,4-dihydro-1H-isochromen-1-yl)propan-1-amine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-phenylisochroman-1-yl)propan-1-amine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-phenyl-3,4-dihydro-1H-2-benzopyran-1-yl)-1-propanamine IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-phenyl-3,4-dihydro-1H-isochromen-1-yl)propan-1-amine Traditional Name: homoveratryl-[3-(4-phenylisochroman-1-yl)propyl]amine Formula: C28H33NO3 MolecularWeight: 431.56652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCCCC2C3=CC=CC=C3C(CO2)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCCCC2C3=CC=CC=C3C(CO2)C4=CC=CC=C4)OC

InChI

InChI=1S/C28H33NO3/c1-30-27-15-14-21(19-28(27)31-2)16-18-29-17-8-13-26-24-12-7-6-11-23(24)25(20-32-26)22-9-4-3-5-10-22/h3-7,9-12,14-15,19,25-26,29H,8,13,16-18,20H2,1-2H3