2-hydroxyethyl 2-[1-azanyl-7-[4-[(E)-piperidin-1-yliminomethyl]phenyl]carbonyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanoate

Systemtic Name: 2-hydroxyethyl 2-[1-azanyl-7-[4-[(E)-piperidin-1-yliminomethyl]phenyl]carbonyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanoate Openeye Name: 2-hydroxyethyl 2-[1-amino-7-[4-[(E)-1-piperidyliminomethyl]benzoyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetate CAS Name: 2-[1-amino-7-[oxo-[4-[(E)-1-piperidinyliminomethyl]phenyl]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl 2-[1-amino-7-[4-[(E)-piperidin-1-yliminomethyl]benzoyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetate Traditional Name: 2-[1-amino-7-[4-[(E)-piperidinoiminomethyl]benzoyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid 2-hydroxyethyl ester Formula: C26H32N4O4 MolecularWeight: 464.55668

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)N=CC2=CC=C(C=C2)C(=O)C3=CC4=C(CCN(C4N)CC(=O)OCCO)C=C3

Isomeric SMILES

C1CCN(CC1)/N=C/C2=CC=C(C=C2)C(=O)C3=CC4=C(CCN(C4N)CC(=O)OCCO)C=C3

InChI

InChI=1S/C26H32N4O4/c27-26-23-16-22(9-8-20(23)10-13-29(26)18-24(32)34-15-14-31)25(33)21-6-4-19(5-7-21)17-28-30-11-2-1-3-12-30/h4-9,16-17,26,31H,1-3,10-15,18,27H2/b28-17+