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

Systemtic Name: 2-methoxyethyl 2-[1-azanyl-7-[4-[(E)-piperidin-1-yliminomethyl]phenyl]carbonyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanoate Openeye Name: 2-methoxyethyl 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-methoxyethyl ester IUPAC Name: 2-methoxyethyl 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-methoxyethyl ester Formula: C27H34N4O4 MolecularWeight: 478.58326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N4O4/c1-34-15-16-35-25(32)19-30-14-11-21-9-10-23(17-24(21)27(30)28)26(33)22-7-5-20(6-8-22)18-29-31-12-3-2-4-13-31/h5-10,17-18,27H,2-4,11-16,19,28H2,1H3/b29-18+