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

Systemtic Name: methyl 2-(3-methyl-2-phenylazanyl-6-piperidin-1-yl-9H-xanthen-9-yl)benzoate Openeye Name: methyl 2-[2-anilino-3-methyl-6-(1-piperidyl)-9H-xanthen-9-yl]benzoate CAS Name: 2-[2-anilino-3-methyl-6-(1-piperidinyl)-9H-xanthen-9-yl]benzoic acid methyl ester IUPAC Name: methyl 2-(2-anilino-3-methyl-6-piperidin-1-yl-9H-xanthen-9-yl)benzoate Traditional Name: 2-(2-anilino-3-methyl-6-piperidino-9H-xanthen-9-yl)benzoic acid methyl ester Formula: C33H32N2O3 MolecularWeight: 504.61878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(C3=C(C=C(C=C3)N4CCCCC4)OC2=C1)C5=CC=CC=C5C(=O)OC)NC6=CC=CC=C6

Isomeric SMILES

CC1=C(C=C2C(C3=C(C=C(C=C3)N4CCCCC4)OC2=C1)C5=CC=CC=C5C(=O)OC)NC6=CC=CC=C6

InChI

InChI=1S/C33H32N2O3/c1-22-19-30-28(21-29(22)34-23-11-5-3-6-12-23)32(25-13-7-8-14-26(25)33(36)37-2)27-16-15-24(20-31(27)38-30)35-17-9-4-10-18-35/h3,5-8,11-16,19-21,32,34H,4,9-10,17-18H2,1-2H3