tert-butyl 6-[(E)-2-[6-azanyl-1-[(E)-hydroxyiminomethyl]naphthalen-2-yl]ethenyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 6-[(E)-2-[6-azanyl-1-[(E)-hydroxyiminomethyl]naphthalen-2-yl]ethenyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 6-[(E)-2-[6-amino-1-[(E)-hydroxyiminomethyl]-2-naphthyl]vinyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 6-[(E)-2-[6-amino-1-[(E)-hydroxyiminomethyl]-2-naphthalenyl]ethenyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-[(E)-2-[6-amino-1-[(E)-hydroxyiminomethyl]naphthalen-2-yl]ethenyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 6-[(E)-2-[6-amino-1-[(E)-hydroximinomethyl]-2-naphthyl]vinyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC(=C2)C=CC3=C(C4=C(C=C3)C=C(C=C4)N)C=NO

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC(=C2)/C=C/C3=C(C4=C(C=C3)C=C(C=C4)N)/C=N/O

InChI

InChI=1S/C27H29N3O3/c1-27(2,3)33-26(31)30-13-12-20-14-18(5-7-22(20)17-30)4-6-19-8-9-21-15-23(28)10-11-24(21)25(19)16-29-32/h4-11,14-16,32H,12-13,17,28H2,1-3H3/b6-4+,29-16+