[2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 3-(aminocarbonylamino)propanoate

Systemtic Name: [2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 3-(aminocarbonylamino)propanoate Openeye Name: [2-[4-(azepan-1-yl)anilino]-2-oxo-ethyl] 3-ureidopropanoate CAS Name: 3-(carbamoylamino)propanoic acid [2-[4-(1-azepanyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(azepan-1-yl)anilino]-2-oxoethyl] 3-(carbamoylamino)propanoate Traditional Name: 3-ureidopropionic acid [2-[4-(azepan-1-yl)anilino]-2-keto-ethyl] ester Formula: C18H26N4O4 MolecularWeight: 362.42344

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)CCNC(=O)N

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)CCNC(=O)N

InChI

InChI=1S/C18H26N4O4/c19-18(25)20-10-9-17(24)26-13-16(23)21-14-5-7-15(8-6-14)22-11-3-1-2-4-12-22/h5-8H,1-4,9-13H2,(H,21,23)(H3,19,20,25)