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

Systemtic Name: ethyl 2-[3,6-bis(ethylamino)-2,7-dimethyl-9H-xanthen-9-yl]benzoate Openeye Name: ethyl 2-[3,6-bis(ethylamino)-2,7-dimethyl-9H-xanthen-9-yl]benzoate CAS Name: 2-[3,6-bis(ethylamino)-2,7-dimethyl-9H-xanthen-9-yl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[3,6-bis(ethylamino)-2,7-dimethyl-9H-xanthen-9-yl]benzoate Traditional Name: 2-[3,6-bis(ethylamino)-2,7-dimethyl-9H-xanthen-9-yl]benzoic acid ethyl ester Formula: C28H32N2O3 MolecularWeight: 444.56528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(C3=CC(=C(C=C3OC2=C1)NCC)C)C4=CC=CC=C4C(=O)OCC)C

Isomeric SMILES

CCNC1=C(C=C2C(C3=CC(=C(C=C3OC2=C1)NCC)C)C4=CC=CC=C4C(=O)OCC)C

InChI

InChI=1S/C28H32N2O3/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25/h9-16,27,29-30H,6-8H2,1-5H3