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

Systemtic Name: 4-[[3-(1-adamantyl)-4-decoxy-phenyl]carbonylamino]benzoic acid Openeye Name: 4-[[3-(1-adamantyl)-4-decoxy-benzoyl]amino]benzoic acid CAS Name: 4-[[[3-(1-adamantyl)-4-decoxyphenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[3-(1-adamantyl)-4-decoxybenzoyl]amino]benzoic acid Traditional Name: 4-[[3-(1-adamantyl)-4-decoxy-benzoyl]amino]benzoic acid Formula: C34H45NO4 MolecularWeight: 531.7254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C34H45NO4/c1-2-3-4-5-6-7-8-9-16-39-31-15-12-28(32(36)35-29-13-10-27(11-14-29)33(37)38)20-30(31)34-21-24-17-25(22-34)19-26(18-24)23-34/h10-15,20,24-26H,2-9,16-19,21-23H2,1H3,(H,35,36)(H,37,38)