methyl 3-[(2-bromanyl-5-methoxy-phenyl)methyl-butyl-carbamoyl]but-3-enoate

Systemtic Name: methyl 3-[(2-bromanyl-5-methoxy-phenyl)methyl-butyl-carbamoyl]but-3-enoate Openeye Name: methyl 3-[(2-bromo-5-methoxy-phenyl)methyl-butyl-carbamoyl]but-3-enoate CAS Name: 3-[[(2-bromo-5-methoxyphenyl)methyl-butylamino]-oxomethyl]-3-butenoic acid methyl ester IUPAC Name: methyl 3-[(2-bromo-5-methoxyphenyl)methyl-butylcarbamoyl]but-3-enoate Traditional Name: 3-[(2-bromo-5-methoxy-benzyl)-butyl-carbamoyl]but-3-enoic acid methyl ester Formula: C18H24BrNO4 MolecularWeight: 398.29146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=C(C=CC(=C1)OC)Br)C(=O)C(=C)CC(=O)OC

Isomeric SMILES

CCCCN(CC1=C(C=CC(=C1)OC)Br)C(=O)C(=C)CC(=O)OC

InChI

InChI=1S/C18H24BrNO4/c1-5-6-9-20(18(22)13(2)10-17(21)24-4)12-14-11-15(23-3)7-8-16(14)19/h7-8,11H,2,5-6,9-10,12H2,1,3-4H3