2-butyl-3-[4-[3-(dibutylamino)propoxy]phenyl]carbonyl-indolizine-7-carboxylic acid hydrochloride

Systemtic Name: 2-butyl-3-[4-[3-(dibutylamino)propoxy]phenyl]carbonyl-indolizine-7-carboxylic acid hydrochloride Openeye Name: 2-butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]indolizine-7-carboxylic acid hydrochloride CAS Name: 2-butyl-3-[[4-[3-(dibutylamino)propoxy]phenyl]-oxomethyl]-7-indolizinecarboxylic acid hydrochloride IUPAC Name: 2-butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]indolizine-7-carboxylic acid hydrochloride Traditional Name: 2-butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]indolizine-7-carboxylic acid hydrochloride Formula: C31H43ClN2O4 MolecularWeight: 543.13712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H42N2O4.ClH/c1-4-7-11-25-22-27-23-26(31(35)36)16-20-33(27)29(25)30(34)24-12-14-28(15-13-24)37-21-10-19-32(17-8-5-2)18-9-6-3;/h12-16,20,22-23H,4-11,17-19,21H2,1-3H3,(H,35,36);1H