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

Systemtic Name: [[3-(1-adamantyl)-4-decoxy-phenyl]carbonylamino] benzoate Openeye Name: [[3-(1-adamantyl)-4-decoxy-benzoyl]amino] benzoate CAS Name: benzoic acid [[[3-(1-adamantyl)-4-decoxyphenyl]-oxomethyl]amino] ester IUPAC Name: [[3-(1-adamantyl)-4-decoxybenzoyl]amino] benzoate Traditional Name: benzoic acid [[3-(1-adamantyl)-4-decoxy-benzoyl]amino] ester 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)NOC(=O)C2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

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

InChI

InChI=1S/C34H45NO4/c1-2-3-4-5-6-7-8-12-17-38-31-16-15-29(32(36)35-39-33(37)28-13-10-9-11-14-28)21-30(31)34-22-25-18-26(23-34)20-27(19-25)24-34/h9-11,13-16,21,25-27H,2-8,12,17-20,22-24H2,1H3,(H,35,36)