2-[2-azanyl-2-[4-[(E)-piperidin-1-yliminomethyl]phenyl]carbonyl-3,4-dihydrochromen-3-yl]ethanoic acid

Systemtic Name: 2-[2-azanyl-2-[4-[(E)-piperidin-1-yliminomethyl]phenyl]carbonyl-3,4-dihydrochromen-3-yl]ethanoic acid Openeye Name: 2-[2-amino-2-[4-[(E)-1-piperidyliminomethyl]benzoyl]chroman-3-yl]acetic acid CAS Name: 2-[2-amino-2-[oxo-[4-[(E)-1-piperidinyliminomethyl]phenyl]methyl]-3,4-dihydro-2H-1-benzopyran-3-yl]acetic acid IUPAC Name: 2-[2-amino-2-[4-[(E)-piperidin-1-yliminomethyl]benzoyl]-3,4-dihydrochromen-3-yl]acetic acid Traditional Name: 2-[2-amino-2-[4-[(E)-piperidinoiminomethyl]benzoyl]chroman-3-yl]acetic acid Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)N=CC2=CC=C(C=C2)C(=O)C3(C(CC4=CC=CC=C4O3)CC(=O)O)N

Isomeric SMILES

C1CCN(CC1)/N=C/C2=CC=C(C=C2)C(=O)C3(C(CC4=CC=CC=C4O3)CC(=O)O)N

InChI

InChI=1S/C24H27N3O4/c25-24(20(15-22(28)29)14-19-6-2-3-7-21(19)31-24)23(30)18-10-8-17(9-11-18)16-26-27-12-4-1-5-13-27/h2-3,6-11,16,20H,1,4-5,12-15,25H2,(H,28,29)/b26-16+