methyl (E)-3-[azanyl-[(2,3,6-trimethylphenyl)methylcarbamoyl]amino]-2-methyl-but-2-enoate

Systemtic Name: methyl (E)-3-[azanyl-[(2,3,6-trimethylphenyl)methylcarbamoyl]amino]-2-methyl-but-2-enoate Openeye Name: methyl (E)-3-[amino-[(2,3,6-trimethylphenyl)methylcarbamoyl]amino]-2-methyl-but-2-enoate CAS Name: (E)-3-[amino-[oxo-[(2,3,6-trimethylphenyl)methylamino]methyl]amino]-2-methyl-2-butenoic acid methyl ester IUPAC Name: methyl (E)-3-[amino-[(2,3,6-trimethylphenyl)methylcarbamoyl]amino]-2-methylbut-2-enoate Traditional Name: (E)-3-[amino-[(2,3,6-trimethylbenzyl)carbamoyl]amino]-2-methyl-but-2-enoic acid methyl ester Formula: C17H25N3O3 MolecularWeight: 319.3987

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)CNC(=O)N(C(=C(C)C(=O)OC)C)N)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)CNC(=O)N(/C(=C(\C)/C(=O)OC)/C)N)C

InChI

InChI=1S/C17H25N3O3/c1-10-7-8-11(2)15(12(10)3)9-19-17(22)20(18)14(5)13(4)16(21)23-6/h7-8H,9,18H2,1-6H3,(H,19,22)/b14-13+