3-[3-(1-adamantyl)-4-decoxy-phenyl]carbonyloxy-4-azanyl-benzoic acid

Systemtic Name: 3-[3-(1-adamantyl)-4-decoxy-phenyl]carbonyloxy-4-azanyl-benzoic acid Openeye Name: 3-[3-(1-adamantyl)-4-decoxy-benzoyl]oxy-4-amino-benzoic acid CAS Name: 3-[[3-(1-adamantyl)-4-decoxyphenyl]-oxomethoxy]-4-aminobenzoic acid IUPAC Name: 3-[3-(1-adamantyl)-4-decoxybenzoyl]oxy-4-aminobenzoic acid Traditional Name: 3-[3-(1-adamantyl)-4-decoxy-benzoyl]oxy-4-amino-benzoic acid Formula: C34H45NO5 MolecularWeight: 547.7248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=C(C=CC(=C2)C(=O)O)N)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=C(C=CC(=C2)C(=O)O)N)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C34H45NO5/c1-2-3-4-5-6-7-8-9-14-39-30-13-11-27(33(38)40-31-19-26(32(36)37)10-12-29(31)35)18-28(30)34-20-23-15-24(21-34)17-25(16-23)22-34/h10-13,18-19,23-25H,2-9,14-17,20-22,35H2,1H3,(H,36,37)