methyl 5-[[[2-(aminocarbonylamino)-3-phenyl-propanoyl]amino]methyl]-2-methoxy-benzoate

Systemtic Name: methyl 5-[[[2-(aminocarbonylamino)-3-phenyl-propanoyl]amino]methyl]-2-methoxy-benzoate Openeye Name: methyl 2-methoxy-5-[[(3-phenyl-2-ureido-propanoyl)amino]methyl]benzoate CAS Name: 5-[[[2-(carbamoylamino)-1-oxo-3-phenylpropyl]amino]methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[[[2-(carbamoylamino)-3-phenylpropanoyl]amino]methyl]-2-methoxybenzoate Traditional Name: 2-methoxy-5-[[(3-phenyl-2-ureido-propanoyl)amino]methyl]benzoic acid methyl ester Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C(CC2=CC=CC=C2)NC(=O)N)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C(CC2=CC=CC=C2)NC(=O)N)C(=O)OC

InChI

InChI=1S/C20H23N3O5/c1-27-17-9-8-14(10-15(17)19(25)28-2)12-22-18(24)16(23-20(21)26)11-13-6-4-3-5-7-13/h3-10,16H,11-12H2,1-2H3,(H,22,24)(H3,21,23,26)