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

Systemtic Name: ethyl 2-[1-azanyl-7-[4-[(E)-ethoxyiminomethyl]phenyl]carbonyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanoate Openeye Name: ethyl 2-[1-amino-7-[4-[(E)-ethoxyiminomethyl]benzoyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetate CAS Name: 2-[1-amino-7-[[4-[(E)-ethoxyiminomethyl]phenyl]-oxomethyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-amino-7-[4-[(E)-ethoxyiminomethyl]benzoyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetate Traditional Name: 2-[1-amino-7-[4-[(E)-ethyloximinomethyl]benzoyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid ethyl ester Formula: C23H27N3O4 MolecularWeight: 409.47818

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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=NOCC

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4/c1-3-29-21(27)15-26-12-11-17-9-10-19(13-20(17)23(26)24)22(28)18-7-5-16(6-8-18)14-25-30-4-2/h5-10,13-14,23H,3-4,11-12,15,24H2,1-2H3/b25-14+