8-[(E)-2-[4-(4-phenylbutoxy)phenyl]ethenyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid

Systemtic Name: 8-[(E)-2-[4-(4-phenylbutoxy)phenyl]ethenyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid Openeye Name: 8-[(E)-2-[4-(4-phenylbutoxy)phenyl]vinyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid CAS Name: 8-[(E)-2-[4-(4-phenylbutoxy)phenyl]ethenyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 8-[(E)-2-[4-(4-phenylbutoxy)phenyl]ethenyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid Traditional Name: 8-[(E)-2-[4-(4-phenylbutoxy)phenyl]vinyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid Formula: C27H27NO4 MolecularWeight: 429.50758

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(C=CC=C2N1)C=CC3=CC=C(C=C3)OCCCCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1C(OC2=C(C=CC=C2N1)/C=C/C3=CC=C(C=C3)OCCCCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H27NO4/c29-27(30)25-19-28-24-11-6-10-22(26(24)32-25)15-12-21-13-16-23(17-14-21)31-18-5-4-9-20-7-2-1-3-8-20/h1-3,6-8,10-17,25,28H,4-5,9,18-19H2,(H,29,30)/b15-12+