butyl N-[2-(butoxycarbonylcarbamoyl)-3-[(5-chloranyl-2-methyl-phenyl)amino]prop-2-enoyl]carbamate

Systemtic Name: butyl N-[2-(butoxycarbonylcarbamoyl)-3-[(5-chloranyl-2-methyl-phenyl)amino]prop-2-enoyl]carbamate Openeye Name: butyl N-[2-(butoxycarbonylcarbamoyl)-3-(5-chloro-2-methyl-anilino)prop-2-enoyl]carbamate CAS Name: N-[2-[[[butoxy(oxo)methyl]amino]-oxomethyl]-3-(5-chloro-2-methylanilino)-1-oxoprop-2-enyl]carbamic acid butyl ester IUPAC Name: butyl N-[2-(butoxycarbonylcarbamoyl)-3-(5-chloro-2-methylanilino)prop-2-enoyl]carbamate Traditional Name: N-[2-(butoxycarbonylcarbamoyl)-3-(5-chloro-2-methyl-anilino)acryloyl]carbamic acid butyl ester Formula: C21H28ClN3O6 MolecularWeight: 453.91652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC(=O)C(=CNC1=C(C=CC(=C1)Cl)C)C(=O)NC(=O)OCCCC

Isomeric SMILES

CCCCOC(=O)NC(=O)C(=CNC1=C(C=CC(=C1)Cl)C)C(=O)NC(=O)OCCCC

InChI

InChI=1S/C21H28ClN3O6/c1-4-6-10-30-20(28)24-18(26)16(19(27)25-21(29)31-11-7-5-2)13-23-17-12-15(22)9-8-14(17)3/h8-9,12-13,23H,4-7,10-11H2,1-3H3,(H,24,26,28)(H,25,27,29)