2-(pyridin-3-ylcarbonylamino)ethyl 2-[1-methyl-5-(4-methylphenyl)carbonyl-pyrrol-2-yl]ethanoate

Systemtic Name: 2-(pyridin-3-ylcarbonylamino)ethyl 2-[1-methyl-5-(4-methylphenyl)carbonyl-pyrrol-2-yl]ethanoate Openeye Name: 2-(pyridine-3-carbonylamino)ethyl 2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetate CAS Name: 2-[1-methyl-5-[(4-methylphenyl)-oxomethyl]-2-pyrrolyl]acetic acid 2-[[oxo(3-pyridinyl)methyl]amino]ethyl ester IUPAC Name: 2-(pyridine-3-carbonylamino)ethyl 2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetate Traditional Name: 2-(1-methyl-5-p-toluoyl-pyrrol-2-yl)acetic acid 2-nicotinamidoethyl ester Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)OCCNC(=O)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)OCCNC(=O)C3=CN=CC=C3

InChI

InChI=1S/C23H23N3O4/c1-16-5-7-17(8-6-16)22(28)20-10-9-19(26(20)2)14-21(27)30-13-12-25-23(29)18-4-3-11-24-15-18/h3-11,15H,12-14H2,1-2H3,(H,25,29)