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

Systemtic Name: 2-methylpropyl 2-[(4-chloranyl-3-pentoxy-phenyl)carbamoyloxy]-3-methyl-but-3-enoate Openeye Name: isobutyl 2-[(4-chloro-3-pentoxy-phenyl)carbamoyloxy]-3-methyl-but-3-enoate CAS Name: 2-[(4-chloro-3-pentoxyanilino)-oxomethoxy]-3-methyl-3-butenoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[(4-chloro-3-pentoxyphenyl)carbamoyloxy]-3-methylbut-3-enoate Traditional Name: 2-[(3-amoxy-4-chloro-phenyl)carbamoyloxy]-3-methyl-but-3-enoic acid isobutyl ester Formula: C21H30ClNO5 MolecularWeight: 411.9196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=CC(=C1)NC(=O)OC(C(=C)C)C(=O)OCC(C)C)Cl

Isomeric SMILES

CCCCCOC1=C(C=CC(=C1)NC(=O)OC(C(=C)C)C(=O)OCC(C)C)Cl

InChI

InChI=1S/C21H30ClNO5/c1-6-7-8-11-26-18-12-16(9-10-17(18)22)23-21(25)28-19(15(4)5)20(24)27-13-14(2)3/h9-10,12,14,19H,4,6-8,11,13H2,1-3,5H3,(H,23,25)