ethenyl 4-(1-adamantyl)-2-[3-(6-azanyl-6-oxidanylidene-hexoxy)phenyl]benzoate

Systemtic Name: ethenyl 4-(1-adamantyl)-2-[3-(6-azanyl-6-oxidanylidene-hexoxy)phenyl]benzoate Openeye Name: vinyl 4-(1-adamantyl)-2-[3-(6-amino-6-oxo-hexoxy)phenyl]benzoate CAS Name: 4-(1-adamantyl)-2-[3-(6-amino-6-oxohexoxy)phenyl]benzoic acid ethenyl ester IUPAC Name: ethenyl 4-(1-adamantyl)-2-[3-(6-amino-6-oxohexoxy)phenyl]benzoate Traditional Name: 4-(1-adamantyl)-2-[3-(6-amino-6-keto-hexoxy)phenyl]benzoic acid vinyl ester Formula: C31H37NO4 MolecularWeight: 487.62978

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Descriptors Computed from Structure

Canonical SMILES:

C=COC(=O)C1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)C3)C5=CC(=CC=C5)OCCCCCC(=O)N

Isomeric SMILES

C=COC(=O)C1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)C3)C5=CC(=CC=C5)OCCCCCC(=O)N

InChI

InChI=1S/C31H37NO4/c1-2-35-30(34)27-11-10-25(31-18-21-13-22(19-31)15-23(14-21)20-31)17-28(27)24-7-6-8-26(16-24)36-12-5-3-4-9-29(32)33/h2,6-8,10-11,16-17,21-23H,1,3-5,9,12-15,18-20H2,(H2,32,33)