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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC=C1)C2=C(C=CC3=CC=CC=C32)CNC4=CC=C(C=C4)C(=O)O)C

Isomeric SMILES

CC1(CC(=CC=C1)C2=C(C=CC3=CC=CC=C32)CNC4=CC=C(C=C4)C(=O)O)C

InChI

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