4-[[(5,5-dimethylcyclohexa-1,3-dien-1-yl)-naphthalen-2-yl-methyl]amino]benzoic acid

Systemtic Name: 4-[[(5,5-dimethylcyclohexa-1,3-dien-1-yl)-naphthalen-2-yl-methyl]amino]benzoic acid Openeye Name: 4-[[(5,5-dimethylcyclohexa-1,3-dien-1-yl)-(2-naphthyl)methyl]amino]benzoic acid CAS Name: 4-[[(5,5-dimethyl-1-cyclohexa-1,3-dienyl)-(2-naphthalenyl)methyl]amino]benzoic acid IUPAC Name: 4-[[(5,5-dimethylcyclohexa-1,3-dien-1-yl)-naphthalen-2-ylmethyl]amino]benzoic acid Traditional Name: 4-[[(5,5-dimethylcyclohexa-1,3-dien-1-yl)-(2-naphthyl)methyl]amino]benzoic acid Formula: C26H25NO2 MolecularWeight: 383.4822

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC=C1)C(C2=CC3=CC=CC=C3C=C2)NC4=CC=C(C=C4)C(=O)O)C

Isomeric SMILES

CC1(CC(=CC=C1)C(C2=CC3=CC=CC=C3C=C2)NC4=CC=C(C=C4)C(=O)O)C

InChI

InChI=1S/C26H25NO2/c1-26(2)15-5-8-22(17-26)24(27-23-13-11-19(12-14-23)25(28)29)21-10-9-18-6-3-4-7-20(18)16-21/h3-16,24,27H,17H2,1-2H3,(H,28,29)