ethyl 4-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-(phenylmethyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-(phenylmethyl)amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[benzyl-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]amino]-4-oxo-butanoate CAS Name: 4-[[1-[(4-bromophenyl)methyl]-2-pyrrolyl]methyl-(phenylmethyl)amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[benzyl-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]amino]-4-oxobutanoate Traditional Name: 4-[benzyl-[[1-(4-bromobenzyl)pyrrol-2-yl]methyl]amino]-4-keto-butyric acid ethyl ester Formula: C25H27BrN2O3 MolecularWeight: 483.39748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N(CC1=CC=CC=C1)CC2=CC=CN2CC3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)CCC(=O)N(CC1=CC=CC=C1)CC2=CC=CN2CC3=CC=C(C=C3)Br

InChI

InChI=1S/C25H27BrN2O3/c1-2-31-25(30)15-14-24(29)28(18-20-7-4-3-5-8-20)19-23-9-6-16-27(23)17-21-10-12-22(26)13-11-21/h3-13,16H,2,14-15,17-19H2,1H3