2-[2-[(6-azanyl-1-methoxy-1-oxidanylidene-hexan-2-yl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: 2-[2-[(6-azanyl-1-methoxy-1-oxidanylidene-hexan-2-yl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: 2-[2-[(5-amino-1-methoxycarbonyl-pentyl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-[2-[(6-amino-1-methoxy-1-oxohexan-2-yl)amino]-1-oxopropyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: 2-[2-[(6-amino-1-methoxy-1-oxohexan-2-yl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-[2-[(5-amino-1-carbomethoxy-pentyl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Formula: C20H28N3O5- MolecularWeight: 390.45342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])NC(CCCCN)C(=O)OC

Isomeric SMILES

CC(C(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])NC(CCCCN)C(=O)OC

InChI

InChI=1S/C20H29N3O5/c1-13(22-16(20(27)28-2)9-5-6-10-21)18(24)23-12-15-8-4-3-7-14(15)11-17(23)19(25)26/h3-4,7-8,13,16-17,22H,5-6,9-12,21H2,1-2H3,(H,25,26)/p-1