methyl 2-(3-methyl-2-phenylazanyl-6-pyrrolidin-1-yl-9H-xanthen-9-yl)benzoate

Systemtic Name: methyl 2-(3-methyl-2-phenylazanyl-6-pyrrolidin-1-yl-9H-xanthen-9-yl)benzoate Openeye Name: methyl 2-(2-anilino-3-methyl-6-pyrrolidin-1-yl-9H-xanthen-9-yl)benzoate CAS Name: 2-[2-anilino-3-methyl-6-(1-pyrrolidinyl)-9H-xanthen-9-yl]benzoic acid methyl ester IUPAC Name: methyl 2-(2-anilino-3-methyl-6-pyrrolidin-1-yl-9H-xanthen-9-yl)benzoate Traditional Name: 2-(2-anilino-3-methyl-6-pyrrolidino-9H-xanthen-9-yl)benzoic acid methyl ester Formula: C32H30N2O3 MolecularWeight: 490.5922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(C3=C(C=C(C=C3)N4CCCC4)OC2=C1)C5=CC=CC=C5C(=O)OC)NC6=CC=CC=C6

Isomeric SMILES

CC1=C(C=C2C(C3=C(C=C(C=C3)N4CCCC4)OC2=C1)C5=CC=CC=C5C(=O)OC)NC6=CC=CC=C6

InChI

InChI=1S/C32H30N2O3/c1-21-18-29-27(20-28(21)33-22-10-4-3-5-11-22)31(24-12-6-7-13-25(24)32(35)36-2)26-15-14-23(19-30(26)37-29)34-16-8-9-17-34/h3-7,10-15,18-20,31,33H,8-9,16-17H2,1-2H3