1-[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]-2-[di(butan-2-yl)amino]ethanol; 4-oxidanylbenzoic acid

Systemtic Name: 1-[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]-2-[di(butan-2-yl)amino]ethanol; 4-oxidanylbenzoic acid Openeye Name: 1-[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]-2-(disec-butylamino)ethanol; 4-hydroxybenzoic acid CAS Name: 1-[1-[(4-chlorophenyl)methyl]-2-pyrrolyl]-2-[di(butan-2-yl)amino]ethanol; 4-hydroxybenzoic acid IUPAC Name: 1-[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]-2-[di(butan-2-yl)amino]ethanol; 4-hydroxybenzoic acid Traditional Name: 1-[1-(4-chlorobenzyl)pyrrol-2-yl]-2-(disec-butylamino)ethanol; 4-hydroxybenzoic acid Formula: C28H37ClN2O4 MolecularWeight: 501.05738

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC(C1=CC=CN1CC2=CC=C(C=C2)Cl)O)C(C)CC.C1=CC(=CC=C1C(=O)O)O

Isomeric SMILES

CCC(C)N(CC(C1=CC=CN1CC2=CC=C(C=C2)Cl)O)C(C)CC.C1=CC(=CC=C1C(=O)O)O

InChI

InChI=1S/C21H31ClN2O.C7H6O3/c1-5-16(3)24(17(4)6-2)15-21(25)20-8-7-13-23(20)14-18-9-11-19(22)12-10-18;8-6-3-1-5(2-4-6)7(9)10/h7-13,16-17,21,25H,5-6,14-15H2,1-4H3;1-4,8H,(H,9,10)