prop-2-enyl 3-[[2-[[2-(1-adamantylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]carbamoylamino]benzoate

Systemtic Name: prop-2-enyl 3-[[2-[[2-(1-adamantylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]carbamoylamino]benzoate Openeye Name: allyl 3-[[2-[2-(adamantane-1-carbonyl)anilino]-2-oxo-ethyl]carbamoylamino]benzoate CAS Name: 3-[[[[2-[2-[1-adamantyl(oxo)methyl]anilino]-2-oxoethyl]amino]-oxomethyl]amino]benzoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 3-[[2-[2-(adamantane-1-carbonyl)anilino]-2-oxoethyl]carbamoylamino]benzoate Traditional Name: 3-[[2-[2-(adamantane-1-carbonyl)anilino]-2-keto-ethyl]carbamoylamino]benzoic acid allyl ester Formula: C30H33N3O5 MolecularWeight: 515.60012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)C1=CC(=CC=C1)NC(=O)NCC(=O)NC2=CC=CC=C2C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C=CCOC(=O)C1=CC(=CC=C1)NC(=O)NCC(=O)NC2=CC=CC=C2C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C30H33N3O5/c1-2-10-38-28(36)22-6-5-7-23(14-22)32-29(37)31-18-26(34)33-25-9-4-3-8-24(25)27(35)30-15-19-11-20(16-30)13-21(12-19)17-30/h2-9,14,19-21H,1,10-13,15-18H2,(H,33,34)(H2,31,32,37)