3-[5-(2-azanylethyl)-9,9-dimethyl-xanthen-4-yl]-N-(phenylmethyl)propanamide

Systemtic Name: 3-[5-(2-azanylethyl)-9,9-dimethyl-xanthen-4-yl]-N-(phenylmethyl)propanamide Openeye Name: 3-[5-(2-aminoethyl)-9,9-dimethyl-xanthen-4-yl]-N-benzyl-propanamide CAS Name: 3-[5-(2-aminoethyl)-9,9-dimethyl-4-xanthenyl]-N-(phenylmethyl)propanamide IUPAC Name: 3-[5-(2-aminoethyl)-9,9-dimethylxanthen-4-yl]-N-benzylpropanamide Traditional Name: 3-[5-(2-aminoethyl)-9,9-dimethyl-xanthen-4-yl]-N-benzyl-propionamide Formula: C27H30N2O2 MolecularWeight: 414.5393

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C(=CC=C2)CCC(=O)NCC3=CC=CC=C3)OC4=C1C=CC=C4CCN)C

Isomeric SMILES

CC1(C2=C(C(=CC=C2)CCC(=O)NCC3=CC=CC=C3)OC4=C1C=CC=C4CCN)C

InChI

InChI=1S/C27H30N2O2/c1-27(2)22-12-6-10-20(14-15-24(30)29-18-19-8-4-3-5-9-19)25(22)31-26-21(16-17-28)11-7-13-23(26)27/h3-13H,14-18,28H2,1-2H3,(H,29,30)