[3-(2-acetamidoethoxy)-3-oxidanylidene-propyl] 3-(2-methylpropylcarbamoylamino)-3-(4-phenylphenyl)propanoate

Systemtic Name: [3-(2-acetamidoethoxy)-3-oxidanylidene-propyl] 3-(2-methylpropylcarbamoylamino)-3-(4-phenylphenyl)propanoate Openeye Name: [3-(2-acetamidoethoxy)-3-oxo-propyl] 3-(isobutylcarbamoylamino)-3-(4-phenylphenyl)propanoate CAS Name: 3-[[(2-methylpropylamino)-oxomethyl]amino]-3-(4-phenylphenyl)propanoic acid [3-(2-acetamidoethoxy)-3-oxopropyl] ester IUPAC Name: [3-(2-acetamidoethoxy)-3-oxopropyl] 3-(2-methylpropylcarbamoylamino)-3-(4-phenylphenyl)propanoate Traditional Name: 3-(isobutylcarbamoylamino)-3-(4-phenylphenyl)propionic acid [3-(2-acetamidoethoxy)-3-keto-propyl] ester Formula: C27H35N3O6 MolecularWeight: 497.5833

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(CC(=O)OCCC(=O)OCCNC(=O)C)C1=CC=C(C=C1)C2=CC=CC=C2

Isomeric SMILES

CC(C)CNC(=O)NC(CC(=O)OCCC(=O)OCCNC(=O)C)C1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C27H35N3O6/c1-19(2)18-29-27(34)30-24(23-11-9-22(10-12-23)21-7-5-4-6-8-21)17-26(33)35-15-13-25(32)36-16-14-28-20(3)31/h4-12,19,24H,13-18H2,1-3H3,(H,28,31)(H2,29,30,34)