4-[(4,4-dimethyl-2-oxidanylidene-oxolan-3-yl)amino]-4-oxidanylidene-3-[3-(4-pyridin-4-ylphenyl)pyrrol-1-yl]butanoic acid

Systemtic Name: 4-[(4,4-dimethyl-2-oxidanylidene-oxolan-3-yl)amino]-4-oxidanylidene-3-[3-(4-pyridin-4-ylphenyl)pyrrol-1-yl]butanoic acid Openeye Name: 4-[(4,4-dimethyl-2-oxo-tetrahydrofuran-3-yl)amino]-4-oxo-3-[3-[4-(4-pyridyl)phenyl]pyrrol-1-yl]butanoic acid CAS Name: 4-[(4,4-dimethyl-2-oxo-3-oxolanyl)amino]-4-oxo-3-[3-(4-pyridin-4-ylphenyl)-1-pyrrolyl]butanoic acid IUPAC Name: 4-[(4,4-dimethyl-2-oxooxolan-3-yl)amino]-4-oxo-3-[3-(4-pyridin-4-ylphenyl)pyrrol-1-yl]butanoic acid Traditional Name: 4-keto-4-[(2-keto-4,4-dimethyl-tetrahydrofuran-3-yl)amino]-3-[3-[4-(4-pyridyl)phenyl]pyrrol-1-yl]butyric acid Formula: C25H25N3O5 MolecularWeight: 447.4831

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(=O)C1NC(=O)C(CC(=O)O)N2C=CC(=C2)C3=CC=C(C=C3)C4=CC=NC=C4)C

Isomeric SMILES

CC1(COC(=O)C1NC(=O)C(CC(=O)O)N2C=CC(=C2)C3=CC=C(C=C3)C4=CC=NC=C4)C

InChI

InChI=1S/C25H25N3O5/c1-25(2)15-33-24(32)22(25)27-23(31)20(13-21(29)30)28-12-9-19(14-28)17-5-3-16(4-6-17)18-7-10-26-11-8-18/h3-12,14,20,22H,13,15H2,1-2H3,(H,27,31)(H,29,30)