methyl 4-[[6-(diphenylcarbamoyl)cyclohex-3-en-1-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[6-(diphenylcarbamoyl)cyclohex-3-en-1-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[6-(diphenylcarbamoyl)cyclohex-3-ene-1-carbonyl]amino]benzoate CAS Name: 4-[[oxo-[6-[oxo-(N-phenylanilino)methyl]-1-cyclohex-3-enyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-(diphenylcarbamoyl)cyclohex-3-ene-1-carbonyl]amino]benzoate Traditional Name: 4-[[6-(diphenylcarbamoyl)cyclohex-3-ene-1-carbonyl]amino]benzoic acid methyl ester Formula: C28H26N2O4 MolecularWeight: 454.51704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2CC=CCC2C(=O)N(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2CC=CCC2C(=O)N(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H26N2O4/c1-34-28(33)20-16-18-21(19-17-20)29-26(31)24-14-8-9-15-25(24)27(32)30(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-13,16-19,24-25H,14-15H2,1H3,(H,29,31)