2-[3-(ethylamino)-6-ethylimino-2,7-dimethyl-xanthen-9-yl]-5-methyl-benzoic acid

Systemtic Name: 2-[3-(ethylamino)-6-ethylimino-2,7-dimethyl-xanthen-9-yl]-5-methyl-benzoic acid Openeye Name: 2-[3-(ethylamino)-6-ethylimino-2,7-dimethyl-xanthen-9-yl]-5-methyl-benzoic acid CAS Name: 2-[3-(ethylamino)-6-ethylimino-2,7-dimethyl-9-xanthenyl]-5-methylbenzoic acid IUPAC Name: 2-[3-(ethylamino)-6-ethylimino-2,7-dimethylxanthen-9-yl]-5-methylbenzoic acid Traditional Name: 2-[3-(ethylamino)-6-ethylimino-2,7-dimethyl-xanthen-9-yl]-5-methyl-benzoic acid Formula: C27H28N2O3 MolecularWeight: 428.52282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)OC3=CC(=NCC)C(=CC3=C2C4=C(C=C(C=C4)C)C(=O)O)C)C

Isomeric SMILES

CCNC1=C(C=C2C(=C1)OC3=CC(=NCC)C(=CC3=C2C4=C(C=C(C=C4)C)C(=O)O)C)C

InChI

InChI=1S/C27H28N2O3/c1-6-28-22-13-24-20(11-16(22)4)26(18-9-8-15(3)10-19(18)27(30)31)21-12-17(5)23(29-7-2)14-25(21)32-24/h8-14,28H,6-7H2,1-5H3,(H,30,31)