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

Systemtic Name: 2-[1-[(4-carbamimidoylphenyl)-methyl-carbamoyl]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanoic acid Openeye Name: 2-[1-[(4-carbamimidoylphenyl)-methyl-carbamoyl]tetralin-2-yl]acetic acid CAS Name: 2-[1-[(4-carbamimidoyl-N-methylanilino)-oxomethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid IUPAC Name: 2-[1-[(4-carbamimidoylphenyl)-methylcarbamoyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid Traditional Name: 2-[1-[(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)C2C(CCC3=CC=CC=C23)CC(=O)O

Isomeric SMILES

CN(C1=CC=C(C=C1)C(=N)N)C(=O)C2C(CCC3=CC=CC=C23)CC(=O)O

InChI

InChI=1S/C21H23N3O3/c1-24(16-10-8-14(9-11-16)20(22)23)21(27)19-15(12-18(25)26)7-6-13-4-2-3-5-17(13)19/h2-5,8-11,15,19H,6-7,12H2,1H3,(H3,22,23)(H,25,26)