6-azanyl-2-[[1-(2-ethoxy-2-oxidanylidene-ethyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]amino]hexanoic acid hydrochloride

Systemtic Name: 6-azanyl-2-[[1-(2-ethoxy-2-oxidanylidene-ethyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]amino]hexanoic acid hydrochloride Openeye Name: 6-amino-2-[[1-(2-ethoxy-2-oxo-ethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]hexanoic acid hydrochloride CAS Name: 6-amino-2-[[1-(2-ethoxy-2-oxoethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]hexanoic acid hydrochloride IUPAC Name: 6-amino-2-[[1-(2-ethoxy-2-oxoethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]hexanoic acid hydrochloride Traditional Name: 6-amino-2-[[1-(2-ethoxy-2-keto-ethyl)-2-keto-4,5-dihydro-3H-1-benzazepin-3-yl]amino]hexanoic acid hydrochloride Formula: C20H30ClN3O5 MolecularWeight: 427.9223

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC=CC=C2CCC(C1=O)NC(CCCCN)C(=O)O.Cl

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2CCC(C1=O)NC(CCCCN)C(=O)O.Cl

InChI

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