bromanylmethane; 2-[di(propan-2-yl)amino]ethyl 9H-xanthene-9-carboxylate

Systemtic Name: bromanylmethane; 2-[di(propan-2-yl)amino]ethyl 9H-xanthene-9-carboxylate Openeye Name: bromomethane; 2-(diisopropylamino)ethyl 9H-xanthene-9-carboxylate CAS Name: bromomethane; 9H-xanthene-9-carboxylic acid 2-[di(propan-2-yl)amino]ethyl ester IUPAC Name: bromomethane; 2-[di(propan-2-yl)amino]ethyl 9H-xanthene-9-carboxylate Traditional Name: bromomethane; 9H-xanthene-9-carboxylic acid 2-(diisopropylamino)ethyl ester Formula: C23H30BrNO3 MolecularWeight: 448.3932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13)C(C)C.CBr

Isomeric SMILES

CC(C)N(CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13)C(C)C.CBr

InChI

InChI=1S/C22H27NO3.CH3Br/c1-15(2)23(16(3)4)13-14-25-22(24)21-17-9-5-7-11-19(17)26-20-12-8-6-10-18(20)21;1-2/h5-12,15-16,21H,13-14H2,1-4H3;1H3