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

Systemtic Name: 2-[1-azanyl-1-[4-[(E)-piperidin-1-yliminomethyl]phenyl]carbonyl-3,4-dihydroisoquinolin-2-yl]ethanoic acid Openeye Name: 2-[1-amino-1-[4-[(E)-1-piperidyliminomethyl]benzoyl]-3,4-dihydroisoquinolin-2-yl]acetic acid CAS Name: 2-[1-amino-1-[oxo-[4-[(E)-1-piperidinyliminomethyl]phenyl]methyl]-3,4-dihydroisoquinolin-2-yl]acetic acid IUPAC Name: 2-[1-amino-1-[4-[(E)-piperidin-1-yliminomethyl]benzoyl]-3,4-dihydroisoquinolin-2-yl]acetic acid Traditional Name: 2-[1-amino-1-[4-[(E)-piperidinoiminomethyl]benzoyl]-3,4-dihydroisoquinolin-2-yl]acetic acid Formula: C24H28N4O3 MolecularWeight: 420.50412

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)N=CC2=CC=C(C=C2)C(=O)C3(C4=CC=CC=C4CCN3CC(=O)O)N

Isomeric SMILES

C1CCN(CC1)/N=C/C2=CC=C(C=C2)C(=O)C3(C4=CC=CC=C4CCN3CC(=O)O)N

InChI

InChI=1S/C24H28N4O3/c25-24(21-7-3-2-6-19(21)12-15-27(24)17-22(29)30)23(31)20-10-8-18(9-11-20)16-26-28-13-4-1-5-14-28/h2-3,6-11,16H,1,4-5,12-15,17,25H2,(H,29,30)/b26-16+