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

Systemtic Name: ethyl 2-[1-azanyl-7-[4-[(E)-piperidin-1-yliminomethyl]phenyl]carbonyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C26H32N4O3 MolecularWeight: 448.55728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCC2=C(C1N)C=C(C=C2)C(=O)C3=CC=C(C=C3)C=NN4CCCCC4

Isomeric SMILES

CCOC(=O)CN1CCC2=C(C1N)C=C(C=C2)C(=O)C3=CC=C(C=C3)/C=N/N4CCCCC4

InChI

InChI=1S/C26H32N4O3/c1-2-33-24(31)18-29-15-12-20-10-11-22(16-23(20)26(29)27)25(32)21-8-6-19(7-9-21)17-28-30-13-4-3-5-14-30/h6-11,16-17,26H,2-5,12-15,18,27H2,1H3/b28-17+