2-[5-(aminomethyl)-3,6-dimethoxy-9,9-dimethyl-xanthen-4-yl]ethanoic acid

Systemtic Name: 2-[5-(aminomethyl)-3,6-dimethoxy-9,9-dimethyl-xanthen-4-yl]ethanoic acid Openeye Name: 2-[5-(aminomethyl)-3,6-dimethoxy-9,9-dimethyl-xanthen-4-yl]acetic acid CAS Name: 2-[5-(aminomethyl)-3,6-dimethoxy-9,9-dimethyl-4-xanthenyl]acetic acid IUPAC Name: 2-[5-(aminomethyl)-3,6-dimethoxy-9,9-dimethylxanthen-4-yl]acetic acid Traditional Name: 2-[5-(aminomethyl)-3,6-dimethoxy-9,9-dimethyl-xanthen-4-yl]acetic acid Formula: C20H23NO5 MolecularWeight: 357.40032

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C(=C(C=C2)OC)CC(=O)O)OC3=C1C=CC(=C3CN)OC)C

Isomeric SMILES

CC1(C2=C(C(=C(C=C2)OC)CC(=O)O)OC3=C1C=CC(=C3CN)OC)C

InChI

InChI=1S/C20H23NO5/c1-20(2)13-5-7-15(24-3)11(9-17(22)23)18(13)26-19-12(10-21)16(25-4)8-6-14(19)20/h5-8H,9-10,21H2,1-4H3,(H,22,23)