2-[(E)-[5-[(4-tert-butylphenyl)methoxy]-1-prop-2-enyl-indol-3-yl]methylideneamino]oxyethanoic acid

Systemtic Name: 2-[(E)-[5-[(4-tert-butylphenyl)methoxy]-1-prop-2-enyl-indol-3-yl]methylideneamino]oxyethanoic acid Openeye Name: 2-[(E)-[1-allyl-5-[(4-tert-butylphenyl)methoxy]indol-3-yl]methyleneamino]oxyacetic acid CAS Name: 2-[(E)-[5-[(4-tert-butylphenyl)methoxy]-1-prop-2-enyl-3-indolyl]methylideneamino]oxyacetic acid IUPAC Name: 2-[(E)-[5-[(4-tert-butylphenyl)methoxy]-1-prop-2-enylindol-3-yl]methylideneamino]oxyacetic acid Traditional Name: 2-[(E)-[1-allyl-5-(4-tert-butylbenzyl)oxy-indol-3-yl]methyleneamino]oxyacetic acid Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC2=CC3=C(C=C2)N(C=C3C=NOCC(=O)O)CC=C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC2=CC3=C(C=C2)N(C=C3/C=N/OCC(=O)O)CC=C

InChI

InChI=1S/C25H28N2O4/c1-5-12-27-15-19(14-26-31-17-24(28)29)22-13-21(10-11-23(22)27)30-16-18-6-8-20(9-7-18)25(2,3)4/h5-11,13-15H,1,12,16-17H2,2-4H3,(H,28,29)/b26-14+