(2Z)-2-(7-butoxy-6-methoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)ethanoic acid

Systemtic Name: (2Z)-2-(7-butoxy-6-methoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)ethanoic acid Openeye Name: (2Z)-2-(7-butoxy-6-methoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)acetic acid CAS Name: (2Z)-2-(7-butoxy-6-methoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)acetic acid IUPAC Name: (2Z)-2-(7-butoxy-6-methoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)acetic acid Traditional Name: (2Z)-2-(7-butoxy-6-methoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)acetic acid Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C2CCNC(=CC(=O)O)C2=C1)OC

Isomeric SMILES

CCCCOC1=C(C=C2CCN/C(=C\C(=O)O)/C2=C1)OC

InChI

InChI=1S/C16H21NO4/c1-3-4-7-21-15-9-12-11(8-14(15)20-2)5-6-17-13(12)10-16(18)19/h8-10,17H,3-7H2,1-2H3,(H,18,19)/b13-10-