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

Systemtic Name: ethyl 4-oxidanylidene-4-[[1-(phenylmethyl)pyrrol-2-yl]methyl-propan-2-yl-amino]butanoate Openeye Name: ethyl 4-[(1-benzylpyrrol-2-yl)methyl-isopropyl-amino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[1-(phenylmethyl)-2-pyrrolyl]methyl-propan-2-ylamino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-4-oxobutanoate Traditional Name: 4-[(1-benzylpyrrol-2-yl)methyl-isopropyl-amino]-4-keto-butyric acid ethyl ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3/c1-4-26-21(25)13-12-20(24)23(17(2)3)16-19-11-8-14-22(19)15-18-9-6-5-7-10-18/h5-11,14,17H,4,12-13,15-16H2,1-3H3