3-[7-[(4-carbamimidoylphenyl)methoxy]-1-methyl-2,5-bis(oxidanylidene)-3,4-dihydro-1-benzazepin-4-yl]propanoic acid

Systemtic Name: 3-[7-[(4-carbamimidoylphenyl)methoxy]-1-methyl-2,5-bis(oxidanylidene)-3,4-dihydro-1-benzazepin-4-yl]propanoic acid Openeye Name: 3-[7-[(4-carbamimidoylphenyl)methoxy]-1-methyl-2,5-dioxo-3,4-dihydro-1-benzazepin-4-yl]propanoic acid CAS Name: 3-[7-[(4-carbamimidoylphenyl)methoxy]-1-methyl-2,5-dioxo-3,4-dihydro-1-benzazepin-4-yl]propanoic acid IUPAC Name: 3-[7-[(4-carbamimidoylphenyl)methoxy]-1-methyl-2,5-dioxo-3,4-dihydro-1-benzazepin-4-yl]propanoic acid Traditional Name: 3-[7-(4-amidinobenzyl)oxy-2,5-diketo-1-methyl-3,4-dihydro-1-benzazepin-4-yl]propionic acid Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CC(C(=O)C2=C1C=CC(=C2)OCC3=CC=C(C=C3)C(=N)N)CCC(=O)O

Isomeric SMILES

CN1C(=O)CC(C(=O)C2=C1C=CC(=C2)OCC3=CC=C(C=C3)C(=N)N)CCC(=O)O

InChI

InChI=1S/C22H23N3O5/c1-25-18-8-7-16(30-12-13-2-4-14(5-3-13)22(23)24)11-17(18)21(29)15(10-19(25)26)6-9-20(27)28/h2-5,7-8,11,15H,6,9-10,12H2,1H3,(H3,23,24)(H,27,28)