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

Systemtic Name: 3-(1-adamantyl)-1-[4-(3-azanylpropoxy)phenyl]naphthalene-2-carboxylic acid Openeye Name: 3-(1-adamantyl)-1-[4-(3-aminopropoxy)phenyl]naphthalene-2-carboxylic acid CAS Name: 3-(1-adamantyl)-1-[4-(3-aminopropoxy)phenyl]-2-naphthalenecarboxylic acid IUPAC Name: 3-(1-adamantyl)-1-[4-(3-aminopropoxy)phenyl]naphthalene-2-carboxylic acid Traditional Name: 3-(1-adamantyl)-1-[4-(3-aminopropoxy)phenyl]-2-naphthoic acid Formula: C30H33NO3 MolecularWeight: 455.58792

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC5=CC=CC=C5C(=C4C(=O)O)C6=CC=C(C=C6)OCCCN

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC5=CC=CC=C5C(=C4C(=O)O)C6=CC=C(C=C6)OCCCN

InChI

InChI=1S/C30H33NO3/c31-10-3-11-34-24-8-6-22(7-9-24)27-25-5-2-1-4-23(25)15-26(28(27)29(32)33)30-16-19-12-20(17-30)14-21(13-19)18-30/h1-2,4-9,15,19-21H,3,10-14,16-18,31H2,(H,32,33)