[(4-carbamimidoylphenyl)-methyl-carbamoyl] 2-(3-oxidanylidene-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl)ethanoate

Systemtic Name: [(4-carbamimidoylphenyl)-methyl-carbamoyl] 2-(3-oxidanylidene-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl)ethanoate Openeye Name: [(4-carbamimidoylphenyl)-methyl-carbamoyl] 2-(3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl)acetate CAS Name: 2-(3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl)acetic acid [(4-carbamimidoyl-N-methylanilino)-oxomethyl] ester IUPAC Name: [(4-carbamimidoylphenyl)-methylcarbamoyl] 2-(3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl)acetate Traditional Name: 2-(3-keto-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl)acetic acid [(4-amidinophenyl)-methyl-carbamoyl] ester Formula: C29H30N4O4 MolecularWeight: 498.5729

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C(=N)N)C(=O)OC(=O)CC2CC3=CC=CC=C3CN(C2=O)CCC4=CC=CC=C4

Isomeric SMILES

CN(C1=CC=C(C=C1)C(=N)N)C(=O)OC(=O)CC2CC3=CC=CC=C3CN(C2=O)CCC4=CC=CC=C4

InChI

InChI=1S/C29H30N4O4/c1-32(25-13-11-21(12-14-25)27(30)31)29(36)37-26(34)18-24-17-22-9-5-6-10-23(22)19-33(28(24)35)16-15-20-7-3-2-4-8-20/h2-14,24H,15-19H2,1H3,(H3,30,31)