2-[7-[(4-carbamimidoylphenyl)-methyl-carbamoyl]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanoic acid

Systemtic Name: 2-[7-[(4-carbamimidoylphenyl)-methyl-carbamoyl]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanoic acid Openeye Name: 2-[7-[(4-carbamimidoylphenyl)-methyl-carbamoyl]tetralin-2-yl]acetic acid CAS Name: 2-[7-[(4-carbamimidoyl-N-methylanilino)-oxomethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid IUPAC Name: 2-[7-[(4-carbamimidoylphenyl)-methylcarbamoyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid Traditional Name: 2-[7-[(4-amidinophenyl)-methyl-carbamoyl]tetralin-2-yl]acetic acid Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C(=N)N)C(=O)C2=CC3=C(CCC(C3)CC(=O)O)C=C2

Isomeric SMILES

CN(C1=CC=C(C=C1)C(=N)N)C(=O)C2=CC3=C(CCC(C3)CC(=O)O)C=C2

InChI

InChI=1S/C21H23N3O3/c1-24(18-8-6-15(7-9-18)20(22)23)21(27)16-5-4-14-3-2-13(11-19(25)26)10-17(14)12-16/h4-9,12-13H,2-3,10-11H2,1H3,(H3,22,23)(H,25,26)