2-[(2-ethyl-5,6,7-trimethyl-4-phenyl-7H-imidazo[4,5-b]pyridin-3-yl)-phenyl-methyl]propanedioic acid

Systemtic Name: 2-[(2-ethyl-5,6,7-trimethyl-4-phenyl-7H-imidazo[4,5-b]pyridin-3-yl)-phenyl-methyl]propanedioic acid Openeye Name: 2-[(2-ethyl-5,6,7-trimethyl-4-phenyl-7H-imidazo[4,5-b]pyridin-3-yl)-phenyl-methyl]propanedioic acid CAS Name: 2-[(2-ethyl-5,6,7-trimethyl-4-phenyl-7H-imidazo[4,5-b]pyridin-3-yl)-phenylmethyl]propanedioic acid IUPAC Name: 2-[(2-ethyl-5,6,7-trimethyl-4-phenyl-7H-imidazo[4,5-b]pyridin-3-yl)-phenylmethyl]propanedioic acid Traditional Name: 2-[(2-ethyl-5,6,7-trimethyl-4-phenyl-7H-imidazo[4,5-b]pyridin-3-yl)-phenyl-methyl]malonic acid Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1C(C3=CC=CC=C3)C(C(=O)O)C(=O)O)N(C(=C(C2C)C)C)C4=CC=CC=C4

Isomeric SMILES

CCC1=NC2=C(N1C(C3=CC=CC=C3)C(C(=O)O)C(=O)O)N(C(=C(C2C)C)C)C4=CC=CC=C4

InChI

InChI=1S/C27H29N3O4/c1-5-21-28-23-17(3)16(2)18(4)29(20-14-10-7-11-15-20)25(23)30(21)24(19-12-8-6-9-13-19)22(26(31)32)27(33)34/h6-15,17,22,24H,5H2,1-4H3,(H,31,32)(H,33,34)