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

Systemtic Name: 3-(1-adamantyl)-4-azanyl-2-[(4-methoxyphenyl)methylideneamino]benzoic acid Openeye Name: 3-(1-adamantyl)-4-amino-2-[(4-methoxyphenyl)methyleneamino]benzoic acid CAS Name: 3-(1-adamantyl)-4-amino-2-[(4-methoxyphenyl)methylideneamino]benzoic acid IUPAC Name: 3-(1-adamantyl)-4-amino-2-[(4-methoxyphenyl)methylideneamino]benzoic acid Traditional Name: 3-(1-adamantyl)-4-amino-2-(p-anisylideneamino)benzoic acid Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=NC2=C(C=CC(=C2C34CC5CC(C3)CC(C5)C4)N)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C=NC2=C(C=CC(=C2C34CC5CC(C3)CC(C5)C4)N)C(=O)O

InChI

InChI=1S/C25H28N2O3/c1-30-19-4-2-15(3-5-19)14-27-23-20(24(28)29)6-7-21(26)22(23)25-11-16-8-17(12-25)10-18(9-16)13-25/h2-7,14,16-18H,8-13,26H2,1H3,(H,28,29)