2-[1-[(4-carbamimidoylphenyl)carbonylamino]-2,3,4,5-tetrahydro-1-benzazepin-2-yl]ethanoic acid

Systemtic Name: 2-[1-[(4-carbamimidoylphenyl)carbonylamino]-2,3,4,5-tetrahydro-1-benzazepin-2-yl]ethanoic acid Openeye Name: 2-[1-[(4-carbamimidoylbenzoyl)amino]-2,3,4,5-tetrahydro-1-benzazepin-2-yl]acetic acid CAS Name: 2-[1-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-2,3,4,5-tetrahydro-1-benzazepin-2-yl]acetic acid IUPAC Name: 2-[1-[(4-carbamimidoylbenzoyl)amino]-2,3,4,5-tetrahydro-1-benzazepin-2-yl]acetic acid Traditional Name: 2-[1-[(4-amidinobenzoyl)amino]-2,3,4,5-tetrahydro-1-benzazepin-2-yl]acetic acid Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C2=CC=CC=C2C1)NC(=O)C3=CC=C(C=C3)C(=N)N)CC(=O)O

Isomeric SMILES

C1CC(N(C2=CC=CC=C2C1)NC(=O)C3=CC=C(C=C3)C(=N)N)CC(=O)O

InChI

InChI=1S/C20H22N4O3/c21-19(22)14-8-10-15(11-9-14)20(27)23-24-16(12-18(25)26)6-3-5-13-4-1-2-7-17(13)24/h1-2,4,7-11,16H,3,5-6,12H2,(H3,21,22)(H,23,27)(H,25,26)