3-(1-adamantyl)-2-[[(4-methoxyphenyl)methylideneamino]methyl]benzoic acid

Systemtic Name: 3-(1-adamantyl)-2-[[(4-methoxyphenyl)methylideneamino]methyl]benzoic acid Openeye Name: 3-(1-adamantyl)-2-[[(4-methoxyphenyl)methyleneamino]methyl]benzoic acid CAS Name: 3-(1-adamantyl)-2-[[(4-methoxyphenyl)methylideneamino]methyl]benzoic acid IUPAC Name: 3-(1-adamantyl)-2-[[(4-methoxyphenyl)methylideneamino]methyl]benzoic acid Traditional Name: 3-(1-adamantyl)-2-[(p-anisylideneamino)methyl]benzoic acid Formula: C26H29NO3 MolecularWeight: 403.51336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=NCC2=C(C=CC=C2C34CC5CC(C3)CC(C5)C4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C=NCC2=C(C=CC=C2C34CC5CC(C3)CC(C5)C4)C(=O)O

InChI

InChI=1S/C26H29NO3/c1-30-21-7-5-17(6-8-21)15-27-16-23-22(25(28)29)3-2-4-24(23)26-12-18-9-19(13-26)11-20(10-18)14-26/h2-8,15,18-20H,9-14,16H2,1H3,(H,28,29)