(3,4-dihydro-2H-pyrrol-5-ylamino)methyl 2-(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)ethanoate

Systemtic Name: (3,4-dihydro-2H-pyrrol-5-ylamino)methyl 2-(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)ethanoate Openeye Name: (3,4-dihydro-2H-pyrrol-5-ylamino)methyl 2-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)acetate CAS Name: 2-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)acetic acid (3,4-dihydro-2H-pyrrol-5-ylamino)methyl ester IUPAC Name: (3,4-dihydro-2H-pyrrol-5-ylamino)methyl 2-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)acetate Traditional Name: 2-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)acetic acid (1-pyrrolin-2-ylamino)methyl ester Formula: C13H22N4O2 MolecularWeight: 266.33938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NC(C1)CC(=O)OCNC2=NCCC2)N

Isomeric SMILES

C1CCC(=NC(C1)CC(=O)OCNC2=NCCC2)N

InChI

InChI=1S/C13H22N4O2/c14-11-5-2-1-4-10(17-11)8-13(18)19-9-16-12-6-3-7-15-12/h10H,1-9H2,(H2,14,17)(H,15,16)