2-[[1-[(4-azanyl-3,5-diethoxy-phenyl)methyl]piperidin-4-yl]amino]-1,3-benzoxazole-6-carboxylic acid

Systemtic Name: 2-[[1-[(4-azanyl-3,5-diethoxy-phenyl)methyl]piperidin-4-yl]amino]-1,3-benzoxazole-6-carboxylic acid Openeye Name: 2-[[1-[(4-amino-3,5-diethoxy-phenyl)methyl]-4-piperidyl]amino]-1,3-benzoxazole-6-carboxylic acid CAS Name: 2-[[1-[(4-amino-3,5-diethoxyphenyl)methyl]-4-piperidinyl]amino]-1,3-benzoxazole-6-carboxylic acid IUPAC Name: 2-[[1-[(4-amino-3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]-1,3-benzoxazole-6-carboxylic acid Traditional Name: 2-[[1-(4-amino-3,5-diethoxy-benzyl)-4-piperidyl]amino]-1,3-benzoxazole-6-carboxylic acid Formula: C24H30N4O5 MolecularWeight: 454.5188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1N)OCC)CN2CCC(CC2)NC3=NC4=C(O3)C=C(C=C4)C(=O)O

Isomeric SMILES

CCOC1=CC(=CC(=C1N)OCC)CN2CCC(CC2)NC3=NC4=C(O3)C=C(C=C4)C(=O)O

InChI

InChI=1S/C24H30N4O5/c1-3-31-20-11-15(12-21(22(20)25)32-4-2)14-28-9-7-17(8-10-28)26-24-27-18-6-5-16(23(29)30)13-19(18)33-24/h5-6,11-13,17H,3-4,7-10,14,25H2,1-2H3,(H,26,27)(H,29,30)