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

Systemtic Name: 2-methylpropyl 2-[(4-chloranyl-3-heptoxy-phenyl)carbamoyloxy]-3-methyl-but-3-enoate Openeye Name: isobutyl 2-[(4-chloro-3-heptoxy-phenyl)carbamoyloxy]-3-methyl-but-3-enoate CAS Name: 2-[(4-chloro-3-heptoxyanilino)-oxomethoxy]-3-methyl-3-butenoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[(4-chloro-3-heptoxyphenyl)carbamoyloxy]-3-methylbut-3-enoate Traditional Name: 2-[(4-chloro-3-heptoxy-phenyl)carbamoyloxy]-3-methyl-but-3-enoic acid isobutyl ester Formula: C23H34ClNO5 MolecularWeight: 439.97276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=CC(=C1)NC(=O)OC(C(=C)C)C(=O)OCC(C)C)Cl

Isomeric SMILES

CCCCCCCOC1=C(C=CC(=C1)NC(=O)OC(C(=C)C)C(=O)OCC(C)C)Cl

InChI

InChI=1S/C23H34ClNO5/c1-6-7-8-9-10-13-28-20-14-18(11-12-19(20)24)25-23(27)30-21(17(4)5)22(26)29-15-16(2)3/h11-12,14,16,21H,4,6-10,13,15H2,1-3,5H3,(H,25,27)