(phenylmethyl) 4-[4-[ethyl-(phenylmethyl)amino]phenyl]-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: (phenylmethyl) 4-[4-[ethyl-(phenylmethyl)amino]phenyl]-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: benzyl 4-[4-[benzyl(ethyl)amino]phenyl]-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-[4-[ethyl-(phenylmethyl)amino]phenyl]-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[4-[benzyl(ethyl)amino]phenyl]-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: 4-[4-[benzyl(ethyl)amino]phenyl]-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid benzyl ester Formula: C28H29N3O3 MolecularWeight: 455.54816

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)C3C(C(=C)NC(=O)N3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)C3C(C(=C)NC(=O)N3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H29N3O3/c1-3-31(18-21-10-6-4-7-11-21)24-16-14-23(15-17-24)26-25(20(2)29-28(33)30-26)27(32)34-19-22-12-8-5-9-13-22/h4-17,25-26H,2-3,18-19H2,1H3,(H2,29,30,33)