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

Systemtic Name: methyl 2-[6-[ethyl(3-methylbutyl)amino]-3-methyl-2-phenylazanyl-9H-xanthen-9-yl]benzoate Openeye Name: methyl 2-[2-anilino-6-[ethyl(isopentyl)amino]-3-methyl-9H-xanthen-9-yl]benzoate CAS Name: 2-[2-anilino-6-[ethyl(3-methylbutyl)amino]-3-methyl-9H-xanthen-9-yl]benzoic acid methyl ester IUPAC Name: methyl 2-[2-anilino-6-[ethyl(3-methylbutyl)amino]-3-methyl-9H-xanthen-9-yl]benzoate Traditional Name: 2-[2-anilino-6-[ethyl(isoamyl)amino]-3-methyl-9H-xanthen-9-yl]benzoic acid methyl ester Formula: C35H38N2O3 MolecularWeight: 534.68782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(C)C)C1=CC2=C(C=C1)C(C3=CC(=C(C=C3O2)C)NC4=CC=CC=C4)C5=CC=CC=C5C(=O)OC

Isomeric SMILES

CCN(CCC(C)C)C1=CC2=C(C=C1)C(C3=CC(=C(C=C3O2)C)NC4=CC=CC=C4)C5=CC=CC=C5C(=O)OC

InChI

InChI=1S/C35H38N2O3/c1-6-37(19-18-23(2)3)26-16-17-29-33(21-26)40-32-20-24(4)31(36-25-12-8-7-9-13-25)22-30(32)34(29)27-14-10-11-15-28(27)35(38)39-5/h7-17,20-23,34,36H,6,18-19H2,1-5H3