[(E)-prop-1-enyl] 3-(1-adamantyl)-4-[3-(2-azanyl-2-oxidanylidene-ethoxy)propyl]-2-phenyl-benzoate

Systemtic Name: [(E)-prop-1-enyl] 3-(1-adamantyl)-4-[3-(2-azanyl-2-oxidanylidene-ethoxy)propyl]-2-phenyl-benzoate Openeye Name: [(E)-prop-1-enyl] 3-(1-adamantyl)-4-[3-(2-amino-2-oxo-ethoxy)propyl]-2-phenyl-benzoate CAS Name: 3-(1-adamantyl)-4-[3-(2-amino-2-oxoethoxy)propyl]-2-phenylbenzoic acid [(E)-prop-1-enyl] ester IUPAC Name: [(E)-prop-1-enyl] 3-(1-adamantyl)-4-[3-(2-amino-2-oxoethoxy)propyl]-2-phenylbenzoate Traditional Name: 3-(1-adamantyl)-4-[3-(2-amino-2-keto-ethoxy)propyl]-2-phenyl-benzoic acid [(E)-prop-1-enyl] ester Formula: C31H37NO4 MolecularWeight: 487.62978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C=C/OC(=O)C1=C(C(=C(C=C1)CCCOCC(=O)N)C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

InChI

InChI=1S/C31H37NO4/c1-2-12-36-30(34)26-11-10-25(9-6-13-35-20-27(32)33)29(28(26)24-7-4-3-5-8-24)31-17-21-14-22(18-31)16-23(15-21)19-31/h2-5,7-8,10-12,21-23H,6,9,13-20H2,1H3,(H2,32,33)/b12-2+