2-[7-[(4-carbamimidoylphenyl)methoxy]-1-oxidanylidene-4,5-dihydro-3H-2-benzazepin-2-yl]ethanoic acid

Systemtic Name: 2-[7-[(4-carbamimidoylphenyl)methoxy]-1-oxidanylidene-4,5-dihydro-3H-2-benzazepin-2-yl]ethanoic acid Openeye Name: 2-[7-[(4-carbamimidoylphenyl)methoxy]-1-oxo-4,5-dihydro-3H-2-benzazepin-2-yl]acetic acid CAS Name: 2-[7-[(4-carbamimidoylphenyl)methoxy]-1-oxo-4,5-dihydro-3H-2-benzazepin-2-yl]acetic acid IUPAC Name: 2-[7-[(4-carbamimidoylphenyl)methoxy]-1-oxo-4,5-dihydro-3H-2-benzazepin-2-yl]acetic acid Traditional Name: 2-[7-(4-amidinobenzyl)oxy-1-keto-4,5-dihydro-3H-2-benzazepin-2-yl]acetic acid Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)OCC3=CC=C(C=C3)C(=N)N)C(=O)N(C1)CC(=O)O

Isomeric SMILES

C1CC2=C(C=CC(=C2)OCC3=CC=C(C=C3)C(=N)N)C(=O)N(C1)CC(=O)O

InChI

InChI=1S/C20H21N3O4/c21-19(22)14-5-3-13(4-6-14)12-27-16-7-8-17-15(10-16)2-1-9-23(20(17)26)11-18(24)25/h3-8,10H,1-2,9,11-12H2,(H3,21,22)(H,24,25)