2-[[1-[(3,5-diethoxy-4-pyrrol-1-yl-phenyl)methyl]piperidin-4-yl]amino]-1,3-benzoxazole-4-carboxylic acid

Systemtic Name: 2-[[1-[(3,5-diethoxy-4-pyrrol-1-yl-phenyl)methyl]piperidin-4-yl]amino]-1,3-benzoxazole-4-carboxylic acid Openeye Name: 2-[[1-[(3,5-diethoxy-4-pyrrol-1-yl-phenyl)methyl]-4-piperidyl]amino]-1,3-benzoxazole-4-carboxylic acid CAS Name: 2-[[1-[[3,5-diethoxy-4-(1-pyrrolyl)phenyl]methyl]-4-piperidinyl]amino]-1,3-benzoxazole-4-carboxylic acid IUPAC Name: 2-[[1-[(3,5-diethoxy-4-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]amino]-1,3-benzoxazole-4-carboxylic acid Traditional Name: 2-[[1-(3,5-diethoxy-4-pyrrol-1-yl-benzyl)-4-piperidyl]amino]-1,3-benzoxazole-4-carboxylic acid Formula: C28H32N4O5 MolecularWeight: 504.57748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1N2C=CC=C2)OCC)CN3CCC(CC3)NC4=NC5=C(C=CC=C5O4)C(=O)O

Isomeric SMILES

CCOC1=CC(=CC(=C1N2C=CC=C2)OCC)CN3CCC(CC3)NC4=NC5=C(C=CC=C5O4)C(=O)O

InChI

InChI=1S/C28H32N4O5/c1-3-35-23-16-19(17-24(36-4-2)26(23)32-12-5-6-13-32)18-31-14-10-20(11-15-31)29-28-30-25-21(27(33)34)8-7-9-22(25)37-28/h5-9,12-13,16-17,20H,3-4,10-11,14-15,18H2,1-2H3,(H,29,30)(H,33,34)