2-azanyl-6-[3,6-bis(diethylamino)-9,9a-dihydro-4aH-xanthen-9-yl]-3-(methylamino)benzoic acid

Systemtic Name: 2-azanyl-6-[3,6-bis(diethylamino)-9,9a-dihydro-4aH-xanthen-9-yl]-3-(methylamino)benzoic acid Openeye Name: 2-amino-6-[3,6-bis(diethylamino)-9,9a-dihydro-4aH-xanthen-9-yl]-3-(methylamino)benzoic acid CAS Name: 2-amino-6-[3,6-bis(diethylamino)-9,9a-dihydro-4aH-xanthen-9-yl]-3-(methylamino)benzoic acid IUPAC Name: 2-amino-6-[3,6-bis(diethylamino)-9,9a-dihydro-4aH-xanthen-9-yl]-3-(methylamino)benzoic acid Traditional Name: 2-amino-6-[3,6-bis(diethylamino)-9,9a-dihydro-4aH-xanthen-9-yl]-3-(methylamino)benzoic acid Formula: C29H38N4O3 MolecularWeight: 490.63702

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2C(C=C1)C(C3=C(O2)C=C(C=C3)N(CC)CC)C4=C(C(=C(C=C4)NC)N)C(=O)O

Isomeric SMILES

CCN(CC)C1=CC2C(C=C1)C(C3=C(O2)C=C(C=C3)N(CC)CC)C4=C(C(=C(C=C4)NC)N)C(=O)O

InChI

InChI=1S/C29H38N4O3/c1-6-32(7-2)18-10-12-20-24(16-18)36-25-17-19(33(8-3)9-4)11-13-21(25)26(20)22-14-15-23(31-5)28(30)27(22)29(34)35/h10-17,20,24,26,31H,6-9,30H2,1-5H3,(H,34,35)