ethanedioic acid; ethyl 2-butyl-3-[4-[3-(dibutylamino)propoxy]phenyl]carbonyl-indolizine-7-carboxylate

Systemtic Name: ethanedioic acid; ethyl 2-butyl-3-[4-[3-(dibutylamino)propoxy]phenyl]carbonyl-indolizine-7-carboxylate Openeye Name: ethyl 2-butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]indolizine-7-carboxylate; oxalic acid CAS Name: 2-butyl-3-[[4-[3-(dibutylamino)propoxy]phenyl]-oxomethyl]-7-indolizinecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 2-butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]indolizine-7-carboxylate; oxalic acid Traditional Name: 2-butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]indolizine-7-carboxylic acid ethyl ester; oxalic acid Formula: C35H48N2O8 MolecularWeight: 624.76422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N2C=CC(=CC2=C1)C(=O)OCC)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCC1=C(N2C=CC(=CC2=C1)C(=O)OCC)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC.C(=O)(C(=O)O)O

InChI

InChI=1S/C33H46N2O4.C2H2O4/c1-5-9-13-27-24-29-25-28(33(37)38-8-4)18-22-35(29)31(27)32(36)26-14-16-30(17-15-26)39-23-12-21-34(19-10-6-2)20-11-7-3;3-1(4)2(5)6/h14-18,22,24-25H,5-13,19-21,23H2,1-4H3;(H,3,4)(H,5,6)