[1-[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]-2-[di(butan-2-yl)amino]ethyl] 4-oxidanylbenzoate

Systemtic Name: [1-[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]-2-[di(butan-2-yl)amino]ethyl] 4-oxidanylbenzoate Openeye Name: [1-[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]-2-(disec-butylamino)ethyl] 4-hydroxybenzoate CAS Name: 4-hydroxybenzoic acid [1-[1-[(2-chlorophenyl)methyl]-2-pyrrolyl]-2-[di(butan-2-yl)amino]ethyl] ester IUPAC Name: [1-[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]-2-[di(butan-2-yl)amino]ethyl] 4-hydroxybenzoate Traditional Name: 4-hydroxybenzoic acid [1-[1-(2-chlorobenzyl)pyrrol-2-yl]-2-(disec-butylamino)ethyl] ester Formula: C28H35ClN2O3 MolecularWeight: 483.0421

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC(C1=CC=CN1CC2=CC=CC=C2Cl)OC(=O)C3=CC=C(C=C3)O)C(C)CC

Isomeric SMILES

CCC(C)N(CC(C1=CC=CN1CC2=CC=CC=C2Cl)OC(=O)C3=CC=C(C=C3)O)C(C)CC

InChI

InChI=1S/C28H35ClN2O3/c1-5-20(3)31(21(4)6-2)19-27(34-28(33)22-13-15-24(32)16-14-22)26-12-9-17-30(26)18-23-10-7-8-11-25(23)29/h7-17,20-21,27,32H,5-6,18-19H2,1-4H3