ethyl 5-(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)-2-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: ethyl 5-(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: ethyl 5-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)-2-(benzyloxycarbonylamino)pentanoate CAS Name: 5-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)-2-(phenylmethoxycarbonylamino)pentanoic acid ethyl ester IUPAC Name: ethyl 5-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: 5-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)-2-(benzyloxycarbonylamino)valeric acid ethyl ester Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCC1CCCCC(=N1)N)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(CCCC1CCCCC(=N1)N)NC(=O)OCC2=CC=CC=C2

InChI

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