2-[1-[(4-carbamimidoylphenyl)carbonyl-ethyl-amino]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanoic acid

Systemtic Name: 2-[1-[(4-carbamimidoylphenyl)carbonyl-ethyl-amino]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanoic acid Openeye Name: 2-[1-[(4-carbamimidoylbenzoyl)-ethyl-amino]tetralin-2-yl]acetic acid CAS Name: 2-[1-[[(4-carbamimidoylphenyl)-oxomethyl]-ethylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid IUPAC Name: 2-[1-[(4-carbamimidoylbenzoyl)-ethylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid Traditional Name: 2-[1-[(4-amidinobenzoyl)-ethyl-amino]tetralin-2-yl]acetic acid Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1C(CCC2=CC=CC=C12)CC(=O)O)C(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCN(C1C(CCC2=CC=CC=C12)CC(=O)O)C(=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H25N3O3/c1-2-25(22(28)16-10-8-15(9-11-16)21(23)24)20-17(13-19(26)27)12-7-14-5-3-4-6-18(14)20/h3-6,8-11,17,20H,2,7,12-13H2,1H3,(H3,23,24)(H,26,27)