2-[2-(2-hydroxyethyl)-6-[[4-[(E)-piperidin-1-yliminomethyl]phenyl]carbonylamino]-3,4-dihydro-2H-chromen-3-yl]ethanoic acid

Systemtic Name: 2-[2-(2-hydroxyethyl)-6-[[4-[(E)-piperidin-1-yliminomethyl]phenyl]carbonylamino]-3,4-dihydro-2H-chromen-3-yl]ethanoic acid Openeye Name: 2-[2-(2-hydroxyethyl)-6-[[4-[(E)-1-piperidyliminomethyl]benzoyl]amino]chroman-3-yl]acetic acid CAS Name: 2-[2-(2-hydroxyethyl)-6-[[oxo-[4-[(E)-1-piperidinyliminomethyl]phenyl]methyl]amino]-3,4-dihydro-2H-1-benzopyran-3-yl]acetic acid IUPAC Name: 2-[2-(2-hydroxyethyl)-6-[[4-[(E)-piperidin-1-yliminomethyl]benzoyl]amino]-3,4-dihydro-2H-chromen-3-yl]acetic acid Traditional Name: 2-[2-(2-hydroxyethyl)-6-[[4-[(E)-piperidinoiminomethyl]benzoyl]amino]chroman-3-yl]acetic acid Formula: C26H31N3O5 MolecularWeight: 465.54144

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)N=CC2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)OC(C(C4)CC(=O)O)CCO

Isomeric SMILES

C1CCN(CC1)/N=C/C2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)OC(C(C4)CC(=O)O)CCO

InChI

InChI=1S/C26H31N3O5/c30-13-10-24-21(16-25(31)32)14-20-15-22(8-9-23(20)34-24)28-26(33)19-6-4-18(5-7-19)17-27-29-11-2-1-3-12-29/h4-9,15,17,21,24,30H,1-3,10-14,16H2,(H,28,33)(H,31,32)/b27-17+