1-[1-[(3,5-diethoxy-4-pyrrol-1-yl-phenyl)methyl]piperidin-4-yl]benzotriazole-5-carboxylic acid

Systemtic Name: 1-[1-[(3,5-diethoxy-4-pyrrol-1-yl-phenyl)methyl]piperidin-4-yl]benzotriazole-5-carboxylic acid Openeye Name: 1-[1-[(3,5-diethoxy-4-pyrrol-1-yl-phenyl)methyl]-4-piperidyl]benzotriazole-5-carboxylic acid CAS Name: 1-[1-[[3,5-diethoxy-4-(1-pyrrolyl)phenyl]methyl]-4-piperidinyl]-5-benzotriazolecarboxylic acid IUPAC Name: 1-[1-[(3,5-diethoxy-4-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]benzotriazole-5-carboxylic acid Traditional Name: 1-[1-(3,5-diethoxy-4-pyrrol-1-yl-benzyl)-4-piperidyl]benzotriazole-5-carboxylic acid Formula: C27H31N5O4 MolecularWeight: 489.56614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1N2C=CC=C2)OCC)CN3CCC(CC3)N4C5=C(C=C(C=C5)C(=O)O)N=N4

Isomeric SMILES

CCOC1=CC(=CC(=C1N2C=CC=C2)OCC)CN3CCC(CC3)N4C5=C(C=C(C=C5)C(=O)O)N=N4

InChI

InChI=1S/C27H31N5O4/c1-3-35-24-15-19(16-25(36-4-2)26(24)31-11-5-6-12-31)18-30-13-9-21(10-14-30)32-23-8-7-20(27(33)34)17-22(23)28-29-32/h5-8,11-12,15-17,21H,3-4,9-10,13-14,18H2,1-2H3,(H,33,34)