ethyl 4-[[[2-[furan-2-ylmethyl(phenethyl)amino]-2-oxidanylidene-ethyl]-prop-2-enyl-carbamoyl]amino]benzoate

Systemtic Name: ethyl 4-[[[2-[furan-2-ylmethyl(phenethyl)amino]-2-oxidanylidene-ethyl]-prop-2-enyl-carbamoyl]amino]benzoate Openeye Name: ethyl 4-[[allyl-[2-[2-furylmethyl(phenethyl)amino]-2-oxo-ethyl]carbamoyl]amino]benzoate CAS Name: 4-[[[[2-[2-furanylmethyl(phenethyl)amino]-2-oxoethyl]-prop-2-enylamino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[2-[furan-2-ylmethyl(phenethyl)amino]-2-oxoethyl]-prop-2-enylcarbamoyl]amino]benzoate Traditional Name: 4-[[allyl-[2-[2-furfuryl(phenethyl)amino]-2-keto-ethyl]carbamoyl]amino]benzoic acid ethyl ester Formula: C28H31N3O5 MolecularWeight: 489.56284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)N(CC=C)CC(=O)N(CCC2=CC=CC=C2)CC3=CC=CO3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)N(CC=C)CC(=O)N(CCC2=CC=CC=C2)CC3=CC=CO3

InChI

InChI=1S/C28H31N3O5/c1-3-17-31(28(34)29-24-14-12-23(13-15-24)27(33)35-4-2)21-26(32)30(20-25-11-8-19-36-25)18-16-22-9-6-5-7-10-22/h3,5-15,19H,1,4,16-18,20-21H2,2H3,(H,29,34)