2-[[4-methyl-3-[(2-oxidanylideneazepan-1-yl)carbonylamino]phenyl]carbamoyloxy]ethyl prop-2-enoate

Systemtic Name: 2-[[4-methyl-3-[(2-oxidanylideneazepan-1-yl)carbonylamino]phenyl]carbamoyloxy]ethyl prop-2-enoate Openeye Name: 2-[[4-methyl-3-[(2-oxoazepane-1-carbonyl)amino]phenyl]carbamoyloxy]ethyl prop-2-enoate CAS Name: 2-propenoic acid 2-[[4-methyl-3-[[oxo-(2-oxo-1-azepanyl)methyl]amino]anilino]-oxomethoxy]ethyl ester IUPAC Name: 2-[[4-methyl-3-[(2-oxoazepane-1-carbonyl)amino]phenyl]carbamoyloxy]ethyl prop-2-enoate Traditional Name: acrylic acid 2-[[3-[(2-ketoazepane-1-carbonyl)amino]-4-methyl-phenyl]carbamoyloxy]ethyl ester Formula: C20H25N3O6 MolecularWeight: 403.429

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)OCCOC(=O)C=C)NC(=O)N2CCCCCC2=O

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)OCCOC(=O)C=C)NC(=O)N2CCCCCC2=O

InChI

InChI=1S/C20H25N3O6/c1-3-18(25)28-11-12-29-20(27)21-15-9-8-14(2)16(13-15)22-19(26)23-10-6-4-5-7-17(23)24/h3,8-9,13H,1,4-7,10-12H2,2H3,(H,21,27)(H,22,26)