ethyl 4-[3-methylbutan-2-yl-[[1-(phenylmethyl)pyrrol-2-yl]methyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[3-methylbutan-2-yl-[[1-(phenylmethyl)pyrrol-2-yl]methyl]amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[(1-benzylpyrrol-2-yl)methyl-(1,2-dimethylpropyl)amino]-4-oxo-butanoate CAS Name: 4-[3-methylbutan-2-yl-[[1-(phenylmethyl)-2-pyrrolyl]methyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(1-benzylpyrrol-2-yl)methyl-(3-methylbutan-2-yl)amino]-4-oxobutanoate Traditional Name: 4-[(1-benzylpyrrol-2-yl)methyl-(1,2-dimethylpropyl)amino]-4-keto-butyric acid ethyl ester Formula: C23H32N2O3 MolecularWeight: 384.51178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N(CC1=CC=CN1CC2=CC=CC=C2)C(C)C(C)C

Isomeric SMILES

CCOC(=O)CCC(=O)N(CC1=CC=CN1CC2=CC=CC=C2)C(C)C(C)C

InChI

InChI=1S/C23H32N2O3/c1-5-28-23(27)14-13-22(26)25(19(4)18(2)3)17-21-12-9-15-24(21)16-20-10-7-6-8-11-20/h6-12,15,18-19H,5,13-14,16-17H2,1-4H3