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

Systemtic Name: 2-[7-[2-(4-carbamimidoylphenyl)ethynyl]-3-oxidanylidene-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoic acid Openeye Name: 2-[7-[2-(4-carbamimidoylphenyl)ethynyl]-3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid CAS Name: 2-[7-[2-(4-carbamimidoylphenyl)ethynyl]-3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid IUPAC Name: 2-[7-[2-(4-carbamimidoylphenyl)ethynyl]-3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Traditional Name: 2-[7-[2-(4-amidinophenyl)ethynyl]-3-keto-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Formula: C29H27N3O3 MolecularWeight: 465.54298

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(CC2=C1C=C(C=C2)C#CC3=CC=C(C=C3)C(=N)N)CCC4=CC=CC=C4)CC(=O)O

Isomeric SMILES

C1C(C(=O)N(CC2=C1C=C(C=C2)C#CC3=CC=C(C=C3)C(=N)N)CCC4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C29H27N3O3/c30-28(31)23-11-8-21(9-12-23)6-7-22-10-13-24-19-32(15-14-20-4-2-1-3-5-20)29(35)26(18-27(33)34)17-25(24)16-22/h1-5,8-13,16,26H,14-15,17-19H2,(H3,30,31)(H,33,34)