[1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3-(aminocarbonylamino)-3-phenyl-propanoate

Systemtic Name: [1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: [2-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 3-phenyl-3-ureido-propanoate CAS Name: 3-(carbamoylamino)-3-phenylpropanoic acid [1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 3-(carbamoylamino)-3-phenylpropanoate Traditional Name: 3-phenyl-3-ureido-propionic acid [2-keto-1-methyl-2-(p-anisylamino)ethyl] ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)OC)OC(=O)CC(C2=CC=CC=C2)NC(=O)N

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)OC)OC(=O)CC(C2=CC=CC=C2)NC(=O)N

InChI

InChI=1S/C21H25N3O5/c1-14(20(26)23-13-15-8-10-17(28-2)11-9-15)29-19(25)12-18(24-21(22)27)16-6-4-3-5-7-16/h3-11,14,18H,12-13H2,1-2H3,(H,23,26)(H3,22,24,27)