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

Systemtic Name: octyl 2-[1-azanyl-7-[4-[(E)-piperidin-1-yliminomethyl]phenyl]carbonyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanoate Openeye Name: octyl 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 octyl ester IUPAC Name: octyl 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 octyl ester Formula: C32H44N4O3 MolecularWeight: 532.71676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H44N4O3/c1-2-3-4-5-6-10-21-39-30(37)24-35-20-17-26-15-16-28(22-29(26)32(35)33)31(38)27-13-11-25(12-14-27)23-34-36-18-8-7-9-19-36/h11-16,22-23,32H,2-10,17-21,24,33H2,1H3/b34-23+