phenyl 2-[2-[(4-pyridin-2-ylphenyl)carbonylamino]ethoxy]-2-pyrrol-1-yl-propanoate

Systemtic Name: phenyl 2-[2-[(4-pyridin-2-ylphenyl)carbonylamino]ethoxy]-2-pyrrol-1-yl-propanoate Openeye Name: phenyl 2-[2-[[4-(2-pyridyl)benzoyl]amino]ethoxy]-2-pyrrol-1-yl-propanoate CAS Name: 2-[2-[[oxo-[4-(2-pyridinyl)phenyl]methyl]amino]ethoxy]-2-(1-pyrrolyl)propanoic acid phenyl ester IUPAC Name: phenyl 2-[2-[(4-pyridin-2-ylbenzoyl)amino]ethoxy]-2-pyrrol-1-ylpropanoate Traditional Name: 2-[2-[[4-(2-pyridyl)benzoyl]amino]ethoxy]-2-pyrrol-1-yl-propionic acid phenyl ester Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1=CC=CC=C1)(N2C=CC=C2)OCCNC(=O)C3=CC=C(C=C3)C4=CC=CC=N4

Isomeric SMILES

CC(C(=O)OC1=CC=CC=C1)(N2C=CC=C2)OCCNC(=O)C3=CC=C(C=C3)C4=CC=CC=N4

InChI

InChI=1S/C27H25N3O4/c1-27(30-18-7-8-19-30,26(32)34-23-9-3-2-4-10-23)33-20-17-29-25(31)22-14-12-21(13-15-22)24-11-5-6-16-28-24/h2-16,18-19H,17,20H2,1H3,(H,29,31)