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

Systemtic Name: methyl 2-[6-[ethyl(3-methylbutyl)amino]-3-methyl-2-pyrrolidin-1-yl-9H-xanthen-9-yl]benzoate Openeye Name: methyl 2-[6-[ethyl(isopentyl)amino]-3-methyl-2-pyrrolidin-1-yl-9H-xanthen-9-yl]benzoate CAS Name: 2-[6-[ethyl(3-methylbutyl)amino]-3-methyl-2-(1-pyrrolidinyl)-9H-xanthen-9-yl]benzoic acid methyl ester IUPAC Name: methyl 2-[6-[ethyl(3-methylbutyl)amino]-3-methyl-2-pyrrolidin-1-yl-9H-xanthen-9-yl]benzoate Traditional Name: 2-[6-[ethyl(isoamyl)amino]-3-methyl-2-pyrrolidino-9H-xanthen-9-yl]benzoic acid methyl ester Formula: C33H40N2O3 MolecularWeight: 512.6823

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(C)C)C1=CC2=C(C=C1)C(C3=CC(=C(C=C3O2)C)N4CCCC4)C5=CC=CC=C5C(=O)OC

Isomeric SMILES

CCN(CCC(C)C)C1=CC2=C(C=C1)C(C3=CC(=C(C=C3O2)C)N4CCCC4)C5=CC=CC=C5C(=O)OC

InChI

InChI=1S/C33H40N2O3/c1-6-34(18-15-22(2)3)24-13-14-27-31(20-24)38-30-19-23(4)29(35-16-9-10-17-35)21-28(30)32(27)25-11-7-8-12-26(25)33(36)37-5/h7-8,11-14,19-22,32H,6,9-10,15-18H2,1-5H3