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

Systemtic Name: methyl 3-[(2-bromanyl-5-methoxy-phenyl)methyl-(phenylmethyl)carbamoyl]but-3-enoate Openeye Name: methyl 3-[benzyl-[(2-bromo-5-methoxy-phenyl)methyl]carbamoyl]but-3-enoate CAS Name: 3-[[(2-bromo-5-methoxyphenyl)methyl-(phenylmethyl)amino]-oxomethyl]-3-butenoic acid methyl ester IUPAC Name: methyl 3-[benzyl-[(2-bromo-5-methoxyphenyl)methyl]carbamoyl]but-3-enoate Traditional Name: 3-[benzyl-(2-bromo-5-methoxy-benzyl)carbamoyl]but-3-enoic acid methyl ester Formula: C21H22BrNO4 MolecularWeight: 432.30768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)CN(CC2=CC=CC=C2)C(=O)C(=C)CC(=O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)Br)CN(CC2=CC=CC=C2)C(=O)C(=C)CC(=O)OC

InChI

InChI=1S/C21H22BrNO4/c1-15(11-20(24)27-3)21(25)23(13-16-7-5-4-6-8-16)14-17-12-18(26-2)9-10-19(17)22/h4-10,12H,1,11,13-14H2,2-3H3