[2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 6-(aminocarbonylamino)hexanoate

Systemtic Name: [2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 6-(aminocarbonylamino)hexanoate Openeye Name: [2-[4-(azepan-1-yl)anilino]-2-oxo-ethyl] 6-ureidohexanoate CAS Name: 6-(carbamoylamino)hexanoic acid [2-[4-(1-azepanyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(azepan-1-yl)anilino]-2-oxoethyl] 6-(carbamoylamino)hexanoate Traditional Name: 6-ureidohexanoic acid [2-[4-(azepan-1-yl)anilino]-2-keto-ethyl] ester Formula: C21H32N4O4 MolecularWeight: 404.50318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O4/c22-21(28)23-13-5-3-4-8-20(27)29-16-19(26)24-17-9-11-18(12-10-17)25-14-6-1-2-7-15-25/h9-12H,1-8,13-16H2,(H,24,26)(H3,22,23,28)