2-[1-ethyl-3-(ethylamino)-6-ethylimino-5-[3-(2-methylprop-2-enoyloxy)propoxy]-2-propoxy-xanthen-9-yl]benzoic acid

Systemtic Name: 2-[1-ethyl-3-(ethylamino)-6-ethylimino-5-[3-(2-methylprop-2-enoyloxy)propoxy]-2-propoxy-xanthen-9-yl]benzoic acid Openeye Name: 2-[1-ethyl-3-(ethylamino)-6-ethylimino-5-[3-(2-methylprop-2-enoyloxy)propoxy]-2-propoxy-xanthen-9-yl]benzoic acid CAS Name: 2-[1-ethyl-3-(ethylamino)-6-ethylimino-5-[3-(2-methyl-1-oxoprop-2-enoxy)propoxy]-2-propoxy-9-xanthenyl]benzoic acid IUPAC Name: 2-[1-ethyl-3-(ethylamino)-6-ethylimino-5-[3-(2-methylprop-2-enoyloxy)propoxy]-2-propoxyxanthen-9-yl]benzoic acid Traditional Name: 2-[1-ethyl-3-(ethylamino)-6-ethylimino-5-(3-methacryloyloxypropoxy)-2-propoxy-xanthen-9-yl]benzoic acid Formula: C36H42N2O7 MolecularWeight: 614.72788

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C2=C(C=C1NCC)OC3=C(C(=NCC)C=CC3=C2C4=CC=CC=C4C(=O)O)OCCCOC(=O)C(=C)C)CC

Isomeric SMILES

CCCOC1=C(C2=C(C=C1NCC)OC3=C(C(=NCC)C=CC3=C2C4=CC=CC=C4C(=O)O)OCCCOC(=O)C(=C)C)CC

InChI

InChI=1S/C36H42N2O7/c1-7-18-42-32-23(8-2)31-29(21-28(32)38-10-4)45-33-26(30(31)24-14-11-12-15-25(24)35(39)40)16-17-27(37-9-3)34(33)43-19-13-20-44-36(41)22(5)6/h11-12,14-17,21,38H,5,7-10,13,18-20H2,1-4,6H3,(H,39,40)