2-[[1-[(4-chloranyl-3-ethoxy-phenyl)methyl]piperidin-4-yl]amino]-1,3-benzoxazole-6-carboxylic acid

Systemtic Name: 2-[[1-[(4-chloranyl-3-ethoxy-phenyl)methyl]piperidin-4-yl]amino]-1,3-benzoxazole-6-carboxylic acid Openeye Name: 2-[[1-[(4-chloro-3-ethoxy-phenyl)methyl]-4-piperidyl]amino]-1,3-benzoxazole-6-carboxylic acid CAS Name: 2-[[1-[(4-chloro-3-ethoxyphenyl)methyl]-4-piperidinyl]amino]-1,3-benzoxazole-6-carboxylic acid IUPAC Name: 2-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]-1,3-benzoxazole-6-carboxylic acid Traditional Name: 2-[[1-(4-chloro-3-ethoxy-benzyl)-4-piperidyl]amino]-1,3-benzoxazole-6-carboxylic acid Formula: C22H24ClN3O4 MolecularWeight: 429.89666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CCC(CC2)NC3=NC4=C(O3)C=C(C=C4)C(=O)O)Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CCC(CC2)NC3=NC4=C(O3)C=C(C=C4)C(=O)O)Cl

InChI

InChI=1S/C22H24ClN3O4/c1-2-29-19-11-14(3-5-17(19)23)13-26-9-7-16(8-10-26)24-22-25-18-6-4-15(21(27)28)12-20(18)30-22/h3-6,11-12,16H,2,7-10,13H2,1H3,(H,24,25)(H,27,28)