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

Systemtic Name: (phenylmethyl) 2-[5-(aminomethyl)-3,6-dimethoxy-9,9-dimethyl-xanthen-4-yl]ethanoate Openeye Name: benzyl 2-[5-(aminomethyl)-3,6-dimethoxy-9,9-dimethyl-xanthen-4-yl]acetate CAS Name: 2-[5-(aminomethyl)-3,6-dimethoxy-9,9-dimethyl-4-xanthenyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[5-(aminomethyl)-3,6-dimethoxy-9,9-dimethylxanthen-4-yl]acetate Traditional Name: 2-[5-(aminomethyl)-3,6-dimethoxy-9,9-dimethyl-xanthen-4-yl]acetic acid benzyl ester Formula: C27H29NO5 MolecularWeight: 447.52286

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C(=C(C=C2)OC)CC(=O)OCC3=CC=CC=C3)OC4=C1C=CC(=C4CN)OC)C

Isomeric SMILES

CC1(C2=C(C(=C(C=C2)OC)CC(=O)OCC3=CC=CC=C3)OC4=C1C=CC(=C4CN)OC)C

InChI

InChI=1S/C27H29NO5/c1-27(2)20-10-12-22(30-3)18(14-24(29)32-16-17-8-6-5-7-9-17)25(20)33-26-19(15-28)23(31-4)13-11-21(26)27/h5-13H,14-16,28H2,1-4H3