6-[3-(1-adamantyl)-4-(3-azanylpropoxy)phenyl]naphthalene-2-carboxylic acid hydrochloride

Systemtic Name: 6-[3-(1-adamantyl)-4-(3-azanylpropoxy)phenyl]naphthalene-2-carboxylic acid hydrochloride Openeye Name: 6-[3-(1-adamantyl)-4-(3-aminopropoxy)phenyl]naphthalene-2-carboxylic acid hydrochloride CAS Name: 6-[3-(1-adamantyl)-4-(3-aminopropoxy)phenyl]-2-naphthalenecarboxylic acid hydrochloride IUPAC Name: 6-[3-(1-adamantyl)-4-(3-aminopropoxy)phenyl]naphthalene-2-carboxylic acid hydrochloride Traditional Name: 6-[3-(1-adamantyl)-4-(3-aminopropoxy)phenyl]-2-naphthoic acid hydrochloride Formula: C30H34ClNO3 MolecularWeight: 492.04886

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC6=C(C=C5)C=C(C=C6)C(=O)O)OCCCN.Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC6=C(C=C5)C=C(C=C6)C(=O)O)OCCCN.Cl

InChI

InChI=1S/C30H33NO3.ClH/c31-8-1-9-34-28-7-6-25(23-2-3-24-14-26(29(32)33)5-4-22(24)13-23)15-27(28)30-16-19-10-20(17-30)12-21(11-19)18-30;/h2-7,13-15,19-21H,1,8-12,16-18,31H2,(H,32,33);1H