ethyl 5-[7-azanylidene-1-(phenylmethoxycarbonylamino)azepan-2-yl]pentanoate

Systemtic Name: ethyl 5-[7-azanylidene-1-(phenylmethoxycarbonylamino)azepan-2-yl]pentanoate Openeye Name: ethyl 5-[1-(benzyloxycarbonylamino)-7-imino-azepan-2-yl]pentanoate CAS Name: 5-[7-imino-1-(phenylmethoxycarbonylamino)-2-azepanyl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[7-imino-1-(phenylmethoxycarbonylamino)azepan-2-yl]pentanoate Traditional Name: 5-[1-(benzyloxycarbonylamino)-7-imino-azepan-2-yl]valeric acid ethyl ester Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC1CCCCC(=N)N1NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCCCC1CCCCC(=N)N1NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H31N3O4/c1-2-27-20(25)15-9-7-13-18-12-6-8-14-19(22)24(18)23-21(26)28-16-17-10-4-3-5-11-17/h3-5,10-11,18,22H,2,6-9,12-16H2,1H3,(H,23,26)