[2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-(aminocarbonylamino)butanoate

Systemtic Name: [2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-(aminocarbonylamino)butanoate Openeye Name: [2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 4-ureidobutanoate CAS Name: 4-(carbamoylamino)butanoic acid [2-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 4-(carbamoylamino)butanoate Traditional Name: 4-ureidobutyric acid [2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)COC(=O)CCCNC(=O)N

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)COC(=O)CCCNC(=O)N

InChI

InChI=1S/C20H25N3O4/c1-14-11-17(15(2)23(14)12-16-7-4-3-5-8-16)18(24)13-27-19(25)9-6-10-22-20(21)26/h3-5,7-8,11H,6,9-10,12-13H2,1-2H3,(H3,21,22,26)