2-[7-[(4-carbamimidoylphenyl)carbonyl-ethyl-amino]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanoic acid

Systemtic Name: 2-[7-[(4-carbamimidoylphenyl)carbonyl-ethyl-amino]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanoic acid Openeye Name: 2-[7-[(4-carbamimidoylbenzoyl)-ethyl-amino]tetralin-2-yl]acetic acid CAS Name: 2-[7-[[(4-carbamimidoylphenyl)-oxomethyl]-ethylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid IUPAC Name: 2-[7-[(4-carbamimidoylbenzoyl)-ethylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid Traditional Name: 2-[7-[(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(C1=CC2=C(CCC(C2)CC(=O)O)C=C1)C(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCN(C1=CC2=C(CCC(C2)CC(=O)O)C=C1)C(=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H25N3O3/c1-2-25(22(28)17-7-5-16(6-8-17)21(23)24)19-10-9-15-4-3-14(12-20(26)27)11-18(15)13-19/h5-10,13-14H,2-4,11-12H2,1H3,(H3,23,24)(H,26,27)