2-[6-[2-carboxyethyl(ethyl)amino]-3-(diethylamino)-3H-xanthen-9-yl]benzoic acid

Systemtic Name: 2-[6-[2-carboxyethyl(ethyl)amino]-3-(diethylamino)-3H-xanthen-9-yl]benzoic acid Openeye Name: 2-[6-[2-carboxyethyl(ethyl)amino]-3-(diethylamino)-3H-xanthen-9-yl]benzoic acid CAS Name: 2-[6-[2-carboxyethyl(ethyl)amino]-3-(diethylamino)-3H-xanthen-9-yl]benzoic acid IUPAC Name: 2-[6-[2-carboxyethyl(ethyl)amino]-3-(diethylamino)-3H-xanthen-9-yl]benzoic acid Traditional Name: 2-[6-[2-carboxyethyl(ethyl)amino]-3-(diethylamino)-3H-xanthen-9-yl]benzoic acid Formula: C29H32N2O5 MolecularWeight: 488.57478

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1C=CC2=C(C3=C(C=C(C=C3)N(CC)CCC(=O)O)OC2=C1)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CCN(CC)C1C=CC2=C(C3=C(C=C(C=C3)N(CC)CCC(=O)O)OC2=C1)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C29H32N2O5/c1-4-30(5-2)19-11-13-23-25(17-19)36-26-18-20(31(6-3)16-15-27(32)33)12-14-24(26)28(23)21-9-7-8-10-22(21)29(34)35/h7-14,17-19H,4-6,15-16H2,1-3H3,(H,32,33)(H,34,35)