N-[(2-methylphenyl)methyl]-3-(4-phenyl-1,3-dihydroisochromen-4-yl)propan-1-amine hydrochloride

Systemtic Name: N-[(2-methylphenyl)methyl]-3-(4-phenyl-1,3-dihydroisochromen-4-yl)propan-1-amine hydrochloride Openeye Name: N-(o-tolylmethyl)-3-(4-phenylisochroman-4-yl)propan-1-amine hydrochloride CAS Name: N-[(2-methylphenyl)methyl]-3-(4-phenyl-3,4-dihydro-1H-2-benzopyran-4-yl)-1-propanamine hydrochloride IUPAC Name: N-[(2-methylphenyl)methyl]-3-(4-phenyl-1,3-dihydroisochromen-4-yl)propan-1-amine hydrochloride Traditional Name: (2-methylbenzyl)-[3-(4-phenylisochroman-4-yl)propyl]amine hydrochloride Formula: C26H30ClNO MolecularWeight: 407.9755

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNCCCC2(COCC3=CC=CC=C32)C4=CC=CC=C4.Cl

Isomeric SMILES

CC1=CC=CC=C1CNCCCC2(COCC3=CC=CC=C32)C4=CC=CC=C4.Cl

InChI

InChI=1S/C26H29NO.ClH/c1-21-10-5-6-11-22(21)18-27-17-9-16-26(24-13-3-2-4-14-24)20-28-19-23-12-7-8-15-25(23)26;/h2-8,10-15,27H,9,16-20H2,1H3;1H