trimethyl (3E,8E)-13-oxidanylidene-1-(phenylmethyl)-1-azacyclopentadeca-3,8-diene-6,6,11-tricarboxylate

Systemtic Name: trimethyl (3E,8E)-13-oxidanylidene-1-(phenylmethyl)-1-azacyclopentadeca-3,8-diene-6,6,11-tricarboxylate Openeye Name: trimethyl (3E,8E)-1-benzyl-13-oxo-1-azacyclopentadeca-3,8-diene-6,6,11-tricarboxylate CAS Name: (3E,8E)-13-oxo-1-(phenylmethyl)-1-azacyclopentadeca-3,8-diene-6,6,11-tricarboxylic acid trimethyl ester IUPAC Name: trimethyl (3E,8E)-1-benzyl-13-oxo-1-azacyclopentadeca-3,8-diene-6,6,11-tricarboxylate Traditional Name: (3E,8E)-1-benzyl-13-keto-1-azacyclopentadeca-3,8-diene-6,6,11-tricarboxylic acid trimethyl ester Formula: C27H35NO7 MolecularWeight: 485.5693

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC=CCC(CC=CCN(CCC(=O)C1)CC2=CC=CC=C2)(C(=O)OC)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H35NO7/c1-33-24(30)22-13-7-8-15-27(25(31)34-2,26(32)35-3)16-9-10-17-28(18-14-23(29)19-22)20-21-11-5-4-6-12-21/h4-12,22H,13-20H2,1-3H3/b8-7+,10-9+