methyl 2-[6-(dibutylamino)-3-methyl-2-pyrrolidin-1-yl-9H-xanthen-9-yl]benzoate

Systemtic Name: methyl 2-[6-(dibutylamino)-3-methyl-2-pyrrolidin-1-yl-9H-xanthen-9-yl]benzoate Openeye Name: methyl 2-[6-(dibutylamino)-3-methyl-2-pyrrolidin-1-yl-9H-xanthen-9-yl]benzoate CAS Name: 2-[6-(dibutylamino)-3-methyl-2-(1-pyrrolidinyl)-9H-xanthen-9-yl]benzoic acid methyl ester IUPAC Name: methyl 2-[6-(dibutylamino)-3-methyl-2-pyrrolidin-1-yl-9H-xanthen-9-yl]benzoate Traditional Name: 2-[6-(dibutylamino)-3-methyl-2-pyrrolidino-9H-xanthen-9-yl]benzoic acid methyl ester Formula: C34H42N2O3 MolecularWeight: 526.70888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=CC2=C(C=C1)C(C3=CC(=C(C=C3O2)C)N4CCCC4)C5=CC=CC=C5C(=O)OC

Isomeric SMILES

CCCCN(CCCC)C1=CC2=C(C=C1)C(C3=CC(=C(C=C3O2)C)N4CCCC4)C5=CC=CC=C5C(=O)OC

InChI

InChI=1S/C34H42N2O3/c1-5-7-17-35(18-8-6-2)25-15-16-28-32(22-25)39-31-21-24(3)30(36-19-11-12-20-36)23-29(31)33(28)26-13-9-10-14-27(26)34(37)38-4/h9-10,13-16,21-23,33H,5-8,11-12,17-20H2,1-4H3