[5-(butylamino)-4-propoxy-3-pyrrol-1-yl-pyridin-2-yl] 3,5-dimethoxybenzoate

Systemtic Name: [5-(butylamino)-4-propoxy-3-pyrrol-1-yl-pyridin-2-yl] 3,5-dimethoxybenzoate Openeye Name: [5-(butylamino)-4-propoxy-3-pyrrol-1-yl-2-pyridyl] 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic acid [5-(butylamino)-4-propoxy-3-(1-pyrrolyl)-2-pyridinyl] ester IUPAC Name: [5-(butylamino)-4-propoxy-3-pyrrol-1-ylpyridin-2-yl] 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid [5-(butylamino)-4-propoxy-3-pyrrol-1-yl-2-pyridyl] ester Formula: C25H31N3O5 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CN=C(C(=C1OCCC)N2C=CC=C2)OC(=O)C3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CCCCNC1=CN=C(C(=C1OCCC)N2C=CC=C2)OC(=O)C3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C25H31N3O5/c1-5-7-10-26-21-17-27-24(22(23(21)32-13-6-2)28-11-8-9-12-28)33-25(29)18-14-19(30-3)16-20(15-18)31-4/h8-9,11-12,14-17,26H,5-7,10,13H2,1-4H3