methyl 2-[3,6-bis(ethylamino)-2,7-dimethyl-1H-xanthen-9-yl]benzoate

Systemtic Name: methyl 2-[3,6-bis(ethylamino)-2,7-dimethyl-1H-xanthen-9-yl]benzoate Openeye Name: methyl 2-[3,6-bis(ethylamino)-2,7-dimethyl-1H-xanthen-9-yl]benzoate CAS Name: 2-[3,6-bis(ethylamino)-2,7-dimethyl-1H-xanthen-9-yl]benzoic acid methyl ester IUPAC Name: methyl 2-[3,6-bis(ethylamino)-2,7-dimethyl-1H-xanthen-9-yl]benzoate Traditional Name: 2-[3,6-bis(ethylamino)-2,7-dimethyl-1H-xanthen-9-yl]benzoic acid methyl ester Formula: C27H30N2O3 MolecularWeight: 430.5387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(CC2=C(C3=CC(=C(C=C3OC2=C1)NCC)C)C4=CC=CC=C4C(=O)OC)C

Isomeric SMILES

CCNC1=C(CC2=C(C3=CC(=C(C=C3OC2=C1)NCC)C)C4=CC=CC=C4C(=O)OC)C

InChI

InChI=1S/C27H30N2O3/c1-6-28-22-14-24-20(12-16(22)3)26(18-10-8-9-11-19(18)27(30)31-5)21-13-17(4)23(29-7-2)15-25(21)32-24/h8-12,14-15,28-29H,6-7,13H2,1-5H3