ethyl 4-[1-[(6-azanylpyridin-2-yl)methyl]-5-phenyl-pyrrol-2-yl]benzoate

Systemtic Name: ethyl 4-[1-[(6-azanylpyridin-2-yl)methyl]-5-phenyl-pyrrol-2-yl]benzoate Openeye Name: ethyl 4-[1-[(6-amino-2-pyridyl)methyl]-5-phenyl-pyrrol-2-yl]benzoate CAS Name: 4-[1-[(6-amino-2-pyridinyl)methyl]-5-phenyl-2-pyrrolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[1-[(6-aminopyridin-2-yl)methyl]-5-phenylpyrrol-2-yl]benzoate Traditional Name: 4-[1-[(6-amino-2-pyridyl)methyl]-5-phenyl-pyrrol-2-yl]benzoic acid ethyl ester Formula: C25H23N3O2 MolecularWeight: 397.46902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(N2CC3=NC(=CC=C3)N)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(N2CC3=NC(=CC=C3)N)C4=CC=CC=C4

InChI

InChI=1S/C25H23N3O2/c1-2-30-25(29)20-13-11-19(12-14-20)23-16-15-22(18-7-4-3-5-8-18)28(23)17-21-9-6-10-24(26)27-21/h3-16H,2,17H2,1H3,(H2,26,27)