ethyl 4-[3-(3-aminophenyl)carbonyl-4-tert-butyl-pyrrol-1-yl]butanoate

Systemtic Name: ethyl 4-[3-(3-aminophenyl)carbonyl-4-tert-butyl-pyrrol-1-yl]butanoate Openeye Name: ethyl 4-[3-(3-aminobenzoyl)-4-tert-butyl-pyrrol-1-yl]butanoate CAS Name: 4-[3-[(3-aminophenyl)-oxomethyl]-4-tert-butyl-1-pyrrolyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-(3-aminobenzoyl)-4-tert-butylpyrrol-1-yl]butanoate Traditional Name: 4-[3-(3-aminobenzoyl)-4-tert-butyl-pyrrol-1-yl]butyric acid ethyl ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C=C(C(=C1)C(C)(C)C)C(=O)C2=CC(=CC=C2)N

Isomeric SMILES

CCOC(=O)CCCN1C=C(C(=C1)C(C)(C)C)C(=O)C2=CC(=CC=C2)N

InChI

InChI=1S/C21H28N2O3/c1-5-26-19(24)10-7-11-23-13-17(18(14-23)21(2,3)4)20(25)15-8-6-9-16(22)12-15/h6,8-9,12-14H,5,7,10-11,22H2,1-4H3