2-hydroxyethyl 2-[2-azanyl-6-[4-[(E)-piperidin-1-yliminomethyl]phenyl]carbonyl-3,4-dihydro-2H-chromen-3-yl]ethanoate

Systemtic Name: 2-hydroxyethyl 2-[2-azanyl-6-[4-[(E)-piperidin-1-yliminomethyl]phenyl]carbonyl-3,4-dihydro-2H-chromen-3-yl]ethanoate Openeye Name: 2-hydroxyethyl 2-[2-amino-6-[4-[(E)-1-piperidyliminomethyl]benzoyl]chroman-3-yl]acetate CAS Name: 2-[2-amino-6-[oxo-[4-[(E)-1-piperidinyliminomethyl]phenyl]methyl]-3,4-dihydro-2H-1-benzopyran-3-yl]acetic acid 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl 2-[2-amino-6-[4-[(E)-piperidin-1-yliminomethyl]benzoyl]-3,4-dihydro-2H-chromen-3-yl]acetate Traditional Name: 2-[2-amino-6-[4-[(E)-piperidinoiminomethyl]benzoyl]chroman-3-yl]acetic acid 2-hydroxyethyl ester 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)C3=CC4=C(C=C3)OC(C(C4)CC(=O)OCCO)N

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O5/c27-26-22(16-24(31)33-13-12-30)15-21-14-20(8-9-23(21)34-26)25(32)19-6-4-18(5-7-19)17-28-29-10-2-1-3-11-29/h4-9,14,17,22,26,30H,1-3,10-13,15-16,27H2/b28-17+