N-(naphthalen-2-ylmethyl)-3-(4-phenyl-1,3-dihydroisochromen-4-yl)propan-1-amine hydrochloride

Systemtic Name: N-(naphthalen-2-ylmethyl)-3-(4-phenyl-1,3-dihydroisochromen-4-yl)propan-1-amine hydrochloride Openeye Name: N-(2-naphthylmethyl)-3-(4-phenylisochroman-4-yl)propan-1-amine hydrochloride CAS Name: N-(2-naphthalenylmethyl)-3-(4-phenyl-3,4-dihydro-1H-2-benzopyran-4-yl)-1-propanamine hydrochloride IUPAC Name: N-(naphthalen-2-ylmethyl)-3-(4-phenyl-1,3-dihydroisochromen-4-yl)propan-1-amine hydrochloride Traditional Name: 2-naphthylmethyl-[3-(4-phenylisochroman-4-yl)propyl]amine hydrochloride Formula: C29H30ClNO MolecularWeight: 444.0076

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(CO1)(CCCNCC3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5.Cl

Isomeric SMILES

C1C2=CC=CC=C2C(CO1)(CCCNCC3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5.Cl

InChI

InChI=1S/C29H29NO.ClH/c1-2-12-27(13-3-1)29(22-31-21-26-11-6-7-14-28(26)29)17-8-18-30-20-23-15-16-24-9-4-5-10-25(24)19-23;/h1-7,9-16,19,30H,8,17-18,20-22H2;1H