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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCCCC2(COCC3=CC=CC=C32)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCCCC2(COCC3=CC=CC=C32)C4=CC=CC=C4)OC

InChI

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