4-[[[3-(1-adamantyl)-4-methoxy-phenyl]-azanyl-methylidene]amino]benzoic acid

Systemtic Name: 4-[[[3-(1-adamantyl)-4-methoxy-phenyl]-azanyl-methylidene]amino]benzoic acid Openeye Name: 4-[[[3-(1-adamantyl)-4-methoxy-phenyl]-amino-methylene]amino]benzoic acid CAS Name: 4-[[[3-(1-adamantyl)-4-methoxyphenyl]-aminomethylidene]amino]benzoic acid IUPAC Name: 4-[[[3-(1-adamantyl)-4-methoxyphenyl]-aminomethylidene]amino]benzoic acid Traditional Name: 4-[[[3-(1-adamantyl)-4-methoxy-phenyl]-amino-methylene]amino]benzoic acid Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=NC2=CC=C(C=C2)C(=O)O)N)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=NC2=CC=C(C=C2)C(=O)O)N)C34CC5CC(C3)CC(C5)C4

InChI

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