trimethyl 1-[2-[(2-methylphenyl)carbamoyl]phenyl]-7-oxidanylidene-3,6-dihydro-2H-azepine-3,4,5-tricarboxylate

Systemtic Name: trimethyl 1-[2-[(2-methylphenyl)carbamoyl]phenyl]-7-oxidanylidene-3,6-dihydro-2H-azepine-3,4,5-tricarboxylate Openeye Name: trimethyl 1-[2-(o-tolylcarbamoyl)phenyl]-7-oxo-3,6-dihydro-2H-azepine-3,4,5-tricarboxylate CAS Name: 1-[2-[(2-methylanilino)-oxomethyl]phenyl]-7-oxo-3,6-dihydro-2H-azepine-3,4,5-tricarboxylic acid trimethyl ester IUPAC Name: trimethyl 1-[2-[(2-methylphenyl)carbamoyl]phenyl]-7-oxo-3,6-dihydro-2H-azepine-3,4,5-tricarboxylate Traditional Name: 7-keto-1-[2-(o-tolylcarbamoyl)phenyl]-3,6-dihydro-2H-azepine-3,4,5-tricarboxylic acid trimethyl ester Formula: C26H26N2O8 MolecularWeight: 494.49324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=CC=CC=C2N3CC(C(=C(CC3=O)C(=O)OC)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=CC=CC=C2N3CC(C(=C(CC3=O)C(=O)OC)C(=O)OC)C(=O)OC

InChI

InChI=1S/C26H26N2O8/c1-15-9-5-7-11-19(15)27-23(30)16-10-6-8-12-20(16)28-14-18(25(32)35-3)22(26(33)36-4)17(13-21(28)29)24(31)34-2/h5-12,18H,13-14H2,1-4H3,(H,27,30)