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

Systemtic Name: 2-[3-(ethylamino)-2,7-dimethyl-6-methylidene-xanthen-9-yl]-5-methyl-benzoic acid Openeye Name: 2-[3-(ethylamino)-2,7-dimethyl-6-methylene-xanthen-9-yl]-5-methyl-benzoic acid CAS Name: 2-[3-(ethylamino)-2,7-dimethyl-6-methylene-9-xanthenyl]-5-methylbenzoic acid IUPAC Name: 2-[3-(ethylamino)-2,7-dimethyl-6-methylidenexanthen-9-yl]-5-methylbenzoic acid Traditional Name: 2-[3-(ethylamino)-2,7-dimethyl-6-methylene-xanthen-9-yl]-5-methyl-benzoic acid Formula: C26H25NO3 MolecularWeight: 399.4816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25NO3/c1-6-27-22-13-24-21(11-17(22)5)25(18-8-7-14(2)9-19(18)26(28)29)20-10-15(3)16(4)12-23(20)30-24/h7-13,27H,4,6H2,1-3,5H3,(H,28,29)