3-[[6-methyl-2-[4-(3-methylbutoxy)phenyl]chromen-4-ylidene]amino]benzoic acid

Systemtic Name: 3-[[6-methyl-2-[4-(3-methylbutoxy)phenyl]chromen-4-ylidene]amino]benzoic acid Openeye Name: 3-[[2-(4-isopentyloxyphenyl)-6-methyl-chromen-4-ylidene]amino]benzoic acid CAS Name: 3-[[6-methyl-2-[4-(3-methylbutoxy)phenyl]-1-benzopyran-4-ylidene]amino]benzoic acid IUPAC Name: 3-[[6-methyl-2-[4-(3-methylbutoxy)phenyl]chromen-4-ylidene]amino]benzoic acid Traditional Name: 3-[[2-(4-isoamoxyphenyl)-6-methyl-chromen-4-ylidene]amino]benzoic acid Formula: C28H27NO4 MolecularWeight: 441.51828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=CC2=NC3=CC=CC(=C3)C(=O)O)C4=CC=C(C=C4)OCCC(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=CC2=NC3=CC=CC(=C3)C(=O)O)C4=CC=C(C=C4)OCCC(C)C

InChI

InChI=1S/C28H27NO4/c1-18(2)13-14-32-23-10-8-20(9-11-23)27-17-25(24-15-19(3)7-12-26(24)33-27)29-22-6-4-5-21(16-22)28(30)31/h4-12,15-18H,13-14H2,1-3H3,(H,30,31)