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

Systemtic Name: ethyl 4-[cyclopropyl-[[1-(phenylmethyl)pyrrol-2-yl]methyl]amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[(1-benzylpyrrol-2-yl)methyl-cyclopropyl-amino]-4-oxo-butanoate CAS Name: 4-[cyclopropyl-[[1-(phenylmethyl)-2-pyrrolyl]methyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(1-benzylpyrrol-2-yl)methyl-cyclopropylamino]-4-oxobutanoate Traditional Name: 4-[(1-benzylpyrrol-2-yl)methyl-cyclopropyl-amino]-4-keto-butyric acid ethyl ester Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N(CC1=CC=CN1CC2=CC=CC=C2)C3CC3

Isomeric SMILES

CCOC(=O)CCC(=O)N(CC1=CC=CN1CC2=CC=CC=C2)C3CC3

InChI

InChI=1S/C21H26N2O3/c1-2-26-21(25)13-12-20(24)23(18-10-11-18)16-19-9-6-14-22(19)15-17-7-4-3-5-8-17/h3-9,14,18H,2,10-13,15-16H2,1H3