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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCC2=C1C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=N)N)CC(=O)O

Isomeric SMILES

CC1C(CCC2=C1C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=N)N)CC(=O)O

InChI

InChI=1S/C21H23N3O3/c1-12-15(11-19(25)26)4-2-13-3-5-16(10-18(12)13)21(27)24-17-8-6-14(7-9-17)20(22)23/h3,5-10,12,15H,2,4,11H2,1H3,(H3,22,23)(H,24,27)(H,25,26)