O2-(N,N'-dicyclohexylcarbamimidoyl) O1-methyl 6,8,10-trimethylheptalene-1,2-dicarboxylate

Systemtic Name: O2-(N,N'-dicyclohexylcarbamimidoyl) O1-methyl 6,8,10-trimethylheptalene-1,2-dicarboxylate Openeye Name: O2-(N,N'-dicyclohexylcarbamimidoyl) O1-methyl 6,8,10-trimethylheptalene-1,2-dicarboxylate CAS Name: 6,8,10-trimethylheptalene-1,2-dicarboxylic acid O2-[(cyclohexylamino)-cyclohexyliminomethyl] ester O1-methyl ester IUPAC Name: 2-O-(N,N'-dicyclohexylcarbamimidoyl) 1-O-methyl 6,8,10-trimethylheptalene-1,2-dicarboxylate Traditional Name: 6,8,10-trimethylheptalene-1,2-dicarboxylic acid O2-(N,N'-dicyclohexylamidino) ester O1-methyl ester Formula: C31H40N2O4 MolecularWeight: 504.6603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=CC=C(C(=C2C(=C1)C)C(=O)OC)C(=O)OC(=NC3CCCCC3)NC4CCCCC4)C

Isomeric SMILES

CC1=CC(=C2C=CC=C(C(=C2C(=C1)C)C(=O)OC)C(=O)OC(=NC3CCCCC3)NC4CCCCC4)C

InChI

InChI=1S/C31H40N2O4/c1-20-18-21(2)25-16-11-17-26(28(30(35)36-4)27(25)22(3)19-20)29(34)37-31(32-23-12-7-5-8-13-23)33-24-14-9-6-10-15-24/h11,16-19,23-24H,5-10,12-15H2,1-4H3,(H,32,33)