ethanedioic acid; 4-[3-(4-phenylphenyl)propanoyl]-2-(pyrrolidin-1-ylmethyl)-2,3-dihydroquinoxaline-1-carbaldehyde

Systemtic Name: ethanedioic acid; 4-[3-(4-phenylphenyl)propanoyl]-2-(pyrrolidin-1-ylmethyl)-2,3-dihydroquinoxaline-1-carbaldehyde Openeye Name: oxalic acid; 4-[3-(4-phenylphenyl)propanoyl]-2-(pyrrolidin-1-ylmethyl)-2,3-dihydroquinoxaline-1-carbaldehyde CAS Name: oxalic acid; 4-[1-oxo-3-(4-phenylphenyl)propyl]-2-(1-pyrrolidinylmethyl)-2,3-dihydroquinoxaline-1-carboxaldehyde IUPAC Name: oxalic acid; 4-[3-(4-phenylphenyl)propanoyl]-2-(pyrrolidin-1-ylmethyl)-2,3-dihydroquinoxaline-1-carbaldehyde Traditional Name: oxalic acid; 4-[3-(4-phenylphenyl)propanoyl]-2-(pyrrolidinomethyl)-2,3-dihydroquinoxaline-1-carbaldehyde Formula: C31H33N3O6 MolecularWeight: 543.61022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2CN(C3=CC=CC=C3N2C=O)C(=O)CCC4=CC=C(C=C4)C5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(C1)CC2CN(C3=CC=CC=C3N2C=O)C(=O)CCC4=CC=C(C=C4)C5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C29H31N3O2.C2H2O4/c33-22-32-26(20-30-18-6-7-19-30)21-31(27-10-4-5-11-28(27)32)29(34)17-14-23-12-15-25(16-13-23)24-8-2-1-3-9-24;3-1(4)2(5)6/h1-5,8-13,15-16,22,26H,6-7,14,17-21H2;(H,3,4)(H,5,6)