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

Systemtic Name: ethyl 4-[tert-butyl-[[1-(phenylmethyl)pyrrol-2-yl]methyl]amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[(1-benzylpyrrol-2-yl)methyl-tert-butyl-amino]-4-oxo-butanoate CAS Name: 4-[tert-butyl-[[1-(phenylmethyl)-2-pyrrolyl]methyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(1-benzylpyrrol-2-yl)methyl-tert-butylamino]-4-oxobutanoate Traditional Name: 4-[(1-benzylpyrrol-2-yl)methyl-tert-butyl-amino]-4-keto-butyric acid ethyl ester Formula: C22H30N2O3 MolecularWeight: 370.4852

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O3/c1-5-27-21(26)14-13-20(25)24(22(2,3)4)17-19-12-9-15-23(19)16-18-10-7-6-8-11-18/h6-12,15H,5,13-14,16-17H2,1-4H3