methyl 3-[[4-(1H-azepin-2-yl)-4-oxidanylidene-butanoyl]-(2,6-dimethylphenyl)amino]propanoate

Systemtic Name: methyl 3-[[4-(1H-azepin-2-yl)-4-oxidanylidene-butanoyl]-(2,6-dimethylphenyl)amino]propanoate Openeye Name: methyl 3-(N-[4-(1H-azepin-2-yl)-4-oxo-butanoyl]-2,6-dimethyl-anilino)propanoate CAS Name: 3-(N-[4-(1H-azepin-2-yl)-1,4-dioxobutyl]-2,6-dimethylanilino)propanoic acid methyl ester IUPAC Name: methyl 3-(N-[4-(1H-azepin-2-yl)-4-oxobutanoyl]-2,6-dimethylanilino)propanoate Traditional Name: 3-(N-[4-(1H-azepin-2-yl)-4-keto-butanoyl]-2,6-dimethyl-anilino)propionic acid methyl ester Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N(CCC(=O)OC)C(=O)CCC(=O)C2=CC=CC=CN2

Isomeric SMILES

CC1=C(C(=CC=C1)C)N(CCC(=O)OC)C(=O)CCC(=O)C2=CC=CC=CN2

InChI

InChI=1S/C22H26N2O4/c1-16-8-7-9-17(2)22(16)24(15-13-21(27)28-3)20(26)12-11-19(25)18-10-5-4-6-14-23-18/h4-10,14,23H,11-13,15H2,1-3H3