ethyl 2-[(4-bromophenyl)methyl-[(E)-3-phenylprop-2-enyl]amino]-3-phenyl-propanoate

Systemtic Name: ethyl 2-[(4-bromophenyl)methyl-[(E)-3-phenylprop-2-enyl]amino]-3-phenyl-propanoate Openeye Name: ethyl 2-[(4-bromophenyl)methyl-[(E)-cinnamyl]amino]-3-phenyl-propanoate CAS Name: 2-[(4-bromophenyl)methyl-[(E)-3-phenylprop-2-enyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-bromophenyl)methyl-[(E)-3-phenylprop-2-enyl]amino]-3-phenylpropanoate Traditional Name: 2-[(4-bromobenzyl)-[(E)-cinnamyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C27H28BrNO2 MolecularWeight: 478.42072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)N(CC=CC2=CC=CC=C2)CC3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)N(C/C=C/C2=CC=CC=C2)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C27H28BrNO2/c1-2-31-27(30)26(20-23-12-7-4-8-13-23)29(21-24-15-17-25(28)18-16-24)19-9-14-22-10-5-3-6-11-22/h3-18,26H,2,19-21H2,1H3/b14-9+