1-(6-ethoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(4-ethylphenyl)-1-(2-morpholin-4-ium-4-ylethyl)urea

Systemtic Name: 1-(6-ethoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(4-ethylphenyl)-1-(2-morpholin-4-ium-4-ylethyl)urea Openeye Name: 1-(6-ethoxy-2,2-dimethyl-chroman-4-yl)-3-(4-ethylphenyl)-1-(2-morpholin-4-ium-4-ylethyl)urea CAS Name: 1-(6-ethoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-3-(4-ethylphenyl)-1-[2-(4-morpholin-4-iumyl)ethyl]urea IUPAC Name: 1-(6-ethoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(4-ethylphenyl)-1-(2-morpholin-4-ium-4-ylethyl)urea Traditional Name: 1-(6-ethoxy-2,2-dimethyl-chroman-4-yl)-3-(4-ethylphenyl)-1-(2-morpholin-4-ium-4-ylethyl)urea Formula: C28H40N3O4+ MolecularWeight: 482.6349

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)N(CC[NH+]2CCOCC2)C3CC(OC4=C3C=C(C=C4)OCC)(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)N(CC[NH+]2CCOCC2)C3CC(OC4=C3C=C(C=C4)OCC)(C)C

InChI

InChI=1S/C28H39N3O4/c1-5-21-7-9-22(10-8-21)29-27(32)31(14-13-30-15-17-33-18-16-30)25-20-28(3,4)35-26-12-11-23(34-6-2)19-24(25)26/h7-12,19,25H,5-6,13-18,20H2,1-4H3,(H,29,32)/p+1