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

Systemtic Name: N-[(3-methylphenyl)methyl]-3-(4-phenyl-1,3-dihydroisochromen-4-yl)propan-1-amine hydrochloride Openeye Name: N-(m-tolylmethyl)-3-(4-phenylisochroman-4-yl)propan-1-amine hydrochloride CAS Name: N-[(3-methylphenyl)methyl]-3-(4-phenyl-3,4-dihydro-1H-2-benzopyran-4-yl)-1-propanamine hydrochloride IUPAC Name: N-[(3-methylphenyl)methyl]-3-(4-phenyl-1,3-dihydroisochromen-4-yl)propan-1-amine hydrochloride Traditional Name: (3-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=C1)CNCCCC2(COCC3=CC=CC=C32)C4=CC=CC=C4.Cl

Isomeric SMILES

CC1=CC(=CC=C1)CNCCCC2(COCC3=CC=CC=C32)C4=CC=CC=C4.Cl

InChI

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