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

Systemtic Name: butyl 2-[1-azanyl-7-[4-[(E)-piperidin-1-yliminomethyl]phenyl]carbonyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C28H36N4O3 MolecularWeight: 476.61044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36N4O3/c1-2-3-17-35-26(33)20-31-16-13-22-11-12-24(18-25(22)28(31)29)27(34)23-9-7-21(8-10-23)19-30-32-14-5-4-6-15-32/h7-12,18-19,28H,2-6,13-17,20,29H2,1H3/b30-19+