methyl 2-(5-azanylpyridin-2-yl)-2-[1-methyl-5-(4-methylphenyl)carbonyl-pyrrol-2-yl]ethanoate

Systemtic Name: methyl 2-(5-azanylpyridin-2-yl)-2-[1-methyl-5-(4-methylphenyl)carbonyl-pyrrol-2-yl]ethanoate Openeye Name: methyl 2-(5-amino-2-pyridyl)-2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetate CAS Name: 2-(5-amino-2-pyridinyl)-2-[1-methyl-5-[(4-methylphenyl)-oxomethyl]-2-pyrrolyl]acetic acid methyl ester IUPAC Name: methyl 2-(5-aminopyridin-2-yl)-2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetate Traditional Name: 2-(5-amino-2-pyridyl)-2-(1-methyl-5-p-toluoyl-pyrrol-2-yl)acetic acid methyl ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)C(C3=NC=C(C=C3)N)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)C(C3=NC=C(C=C3)N)C(=O)OC

InChI

InChI=1S/C21H21N3O3/c1-13-4-6-14(7-5-13)20(25)18-11-10-17(24(18)2)19(21(26)27-3)16-9-8-15(22)12-23-16/h4-12,19H,22H2,1-3H3