2-methylpropyl 2-[(4-chloranyl-3-hexoxy-phenyl)carbamoyloxy]-3-methyl-but-3-enoate

Systemtic Name: 2-methylpropyl 2-[(4-chloranyl-3-hexoxy-phenyl)carbamoyloxy]-3-methyl-but-3-enoate Openeye Name: isobutyl 2-[(4-chloro-3-hexoxy-phenyl)carbamoyloxy]-3-methyl-but-3-enoate CAS Name: 2-[(4-chloro-3-hexoxyanilino)-oxomethoxy]-3-methyl-3-butenoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[(4-chloro-3-hexoxyphenyl)carbamoyloxy]-3-methylbut-3-enoate Traditional Name: 2-[(4-chloro-3-hexoxy-phenyl)carbamoyloxy]-3-methyl-but-3-enoic acid isobutyl ester Formula: C22H32ClNO5 MolecularWeight: 425.94618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=CC(=C1)NC(=O)OC(C(=C)C)C(=O)OCC(C)C)Cl

Isomeric SMILES

CCCCCCOC1=C(C=CC(=C1)NC(=O)OC(C(=C)C)C(=O)OCC(C)C)Cl

InChI

InChI=1S/C22H32ClNO5/c1-6-7-8-9-12-27-19-13-17(10-11-18(19)23)24-22(26)29-20(16(4)5)21(25)28-14-15(2)3/h10-11,13,15,20H,4,6-9,12,14H2,1-3,5H3,(H,24,26)