methyl 2-[(4aS)-3,6-bis(diethylamino)-2,7-dimethyl-4aH-xanthen-9-yl]benzoate

Systemtic Name: methyl 2-[(4aS)-3,6-bis(diethylamino)-2,7-dimethyl-4aH-xanthen-9-yl]benzoate Openeye Name: methyl 2-[(4aS)-3,6-bis(diethylamino)-2,7-dimethyl-4aH-xanthen-9-yl]benzoate CAS Name: 2-[(4aS)-3,6-bis(diethylamino)-2,7-dimethyl-4aH-xanthen-9-yl]benzoic acid methyl ester IUPAC Name: methyl 2-[(4aS)-3,6-bis(diethylamino)-2,7-dimethyl-4aH-xanthen-9-yl]benzoate Traditional Name: 2-[(4aS)-3,6-bis(diethylamino)-2,7-dimethyl-4aH-xanthen-9-yl]benzoic acid methyl ester Formula: C31H38N2O3 MolecularWeight: 486.64502

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2C(=C(C3=CC(=C(C=C3O2)N(CC)CC)C)C4=CC=CC=C4C(=O)OC)C=C1C

Isomeric SMILES

CCN(CC)C1=C[C@H]2C(=C(C3=CC(=C(C=C3O2)N(CC)CC)C)C4=CC=CC=C4C(=O)OC)C=C1C

InChI

InChI=1S/C31H38N2O3/c1-8-32(9-2)26-18-28-24(16-20(26)5)30(22-14-12-13-15-23(22)31(34)35-7)25-17-21(6)27(19-29(25)36-28)33(10-3)11-4/h12-19,28H,8-11H2,1-7H3/t28-/m0/s1