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

Systemtic Name: methyl 2-(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)-3-(3,4-dihydro-2H-pyrrol-5-ylamino)propanoate Openeye Name: methyl 2-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)-3-(3,4-dihydro-2H-pyrrol-5-ylamino)propanoate CAS Name: 2-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)-3-(3,4-dihydro-2H-pyrrol-5-ylamino)propanoic acid methyl ester IUPAC Name: methyl 2-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)-3-(3,4-dihydro-2H-pyrrol-5-ylamino)propanoate Traditional Name: 2-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)-3-(1-pyrrolin-2-ylamino)propionic acid methyl ester Formula: C14H24N4O2 MolecularWeight: 280.36596

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CNC1=NCCC1)C2CCCCC(=N2)N

Isomeric SMILES

COC(=O)C(CNC1=NCCC1)C2CCCCC(=N2)N

InChI

InChI=1S/C14H24N4O2/c1-20-14(19)10(9-17-13-7-4-8-16-13)11-5-2-3-6-12(15)18-11/h10-11H,2-9H2,1H3,(H2,15,18)(H,16,17)