2-[[1-[(8-ethoxy-2,2-dimethyl-chromen-6-yl)methyl]piperidin-4-yl]amino]-1,3-benzoxazole-6-carboxylic acid

Systemtic Name: 2-[[1-[(8-ethoxy-2,2-dimethyl-chromen-6-yl)methyl]piperidin-4-yl]amino]-1,3-benzoxazole-6-carboxylic acid Openeye Name: 2-[[1-[(8-ethoxy-2,2-dimethyl-chromen-6-yl)methyl]-4-piperidyl]amino]-1,3-benzoxazole-6-carboxylic acid CAS Name: 2-[[1-[(8-ethoxy-2,2-dimethyl-1-benzopyran-6-yl)methyl]-4-piperidinyl]amino]-1,3-benzoxazole-6-carboxylic acid IUPAC Name: 2-[[1-[(8-ethoxy-2,2-dimethylchromen-6-yl)methyl]piperidin-4-yl]amino]-1,3-benzoxazole-6-carboxylic acid Traditional Name: 2-[[1-[(8-ethoxy-2,2-dimethyl-chromen-6-yl)methyl]-4-piperidyl]amino]-1,3-benzoxazole-6-carboxylic acid Formula: C27H31N3O5 MolecularWeight: 477.55214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC(=C1)CN3CCC(CC3)NC4=NC5=C(O4)C=C(C=C5)C(=O)O)C=CC(O2)(C)C

Isomeric SMILES

CCOC1=C2C(=CC(=C1)CN3CCC(CC3)NC4=NC5=C(O4)C=C(C=C5)C(=O)O)C=CC(O2)(C)C

InChI

InChI=1S/C27H31N3O5/c1-4-33-23-14-17(13-18-7-10-27(2,3)35-24(18)23)16-30-11-8-20(9-12-30)28-26-29-21-6-5-19(25(31)32)15-22(21)34-26/h5-7,10,13-15,20H,4,8-9,11-12,16H2,1-3H3,(H,28,29)(H,31,32)