ethanedioic acid; [2-methyl-3-(2-pyridin-2-ylethyl)indolizin-1-yl]-(3-phenoxyphenyl)methanone

Systemtic Name: ethanedioic acid; [2-methyl-3-(2-pyridin-2-ylethyl)indolizin-1-yl]-(3-phenoxyphenyl)methanone Openeye Name: [2-methyl-3-[2-(2-pyridyl)ethyl]indolizin-1-yl]-(3-phenoxyphenyl)methanone; oxalic acid CAS Name: [2-methyl-3-[2-(2-pyridinyl)ethyl]-1-indolizinyl]-(3-phenoxyphenyl)methanone; oxalic acid IUPAC Name: [2-methyl-3-(2-pyridin-2-ylethyl)indolizin-1-yl]-(3-phenoxyphenyl)methanone; oxalic acid Traditional Name: [2-methyl-3-[2-(2-pyridyl)ethyl]indolizin-1-yl]-(3-phenoxyphenyl)methanone; oxalic acid Formula: C31H26N2O6 MolecularWeight: 522.54794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C=CC=CC2=C1C(=O)C3=CC(=CC=C3)OC4=CC=CC=C4)CCC5=CC=CC=N5.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(N2C=CC=CC2=C1C(=O)C3=CC(=CC=C3)OC4=CC=CC=C4)CCC5=CC=CC=N5.C(=O)(C(=O)O)O

InChI

InChI=1S/C29H24N2O2.C2H2O4/c1-21-26(17-16-23-11-5-7-18-30-23)31-19-8-6-15-27(31)28(21)29(32)22-10-9-14-25(20-22)33-24-12-3-2-4-13-24;3-1(4)2(5)6/h2-15,18-20H,16-17H2,1H3;(H,3,4)(H,5,6)