methyl (3E,13E)-9-oxidanylidene-1,6-bis(phenylmethyl)-1,6-diazacyclopentadeca-3,13-diene-11-carboxylate

Systemtic Name: methyl (3E,13E)-9-oxidanylidene-1,6-bis(phenylmethyl)-1,6-diazacyclopentadeca-3,13-diene-11-carboxylate Openeye Name: methyl (3E,13E)-1,6-dibenzyl-9-oxo-1,6-diazacyclopentadeca-3,13-diene-11-carboxylate CAS Name: (3E,13E)-9-oxo-1,6-bis(phenylmethyl)-1,6-diazacyclopentadeca-3,13-diene-11-carboxylic acid methyl ester IUPAC Name: methyl (3E,13E)-1,6-dibenzyl-9-oxo-1,6-diazacyclopentadeca-3,13-diene-11-carboxylate Traditional Name: (3E,13E)-1,6-dibenzyl-9-keto-1,6-diazacyclopentadeca-3,13-diene-11-carboxylic acid methyl ester Formula: C29H36N2O3 MolecularWeight: 460.60774

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC=CCN(CC=CCN(CCC(=O)C1)CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1C/C=C/CN(C/C=C/CN(CCC(=O)C1)CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C29H36N2O3/c1-34-29(33)27-16-8-9-18-30(23-25-12-4-2-5-13-25)19-10-11-20-31(21-17-28(32)22-27)24-26-14-6-3-7-15-26/h2-15,27H,16-24H2,1H3/b9-8+,11-10+