2-[3-[(4-carbamimidoylphenyl)carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]benzoic acid

Systemtic Name: 2-[3-[(4-carbamimidoylphenyl)carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]benzoic acid Openeye Name: 2-[7-[(4-carbamimidoylphenyl)carbamoyl]tetralin-6-yl]benzoic acid CAS Name: 2-[3-[(4-carbamimidoylanilino)-oxomethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]benzoic acid IUPAC Name: 2-[3-[(4-carbamimidoylphenyl)carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]benzoic acid Traditional Name: 2-[7-[(4-amidinophenyl)carbamoyl]tetralin-6-yl]benzoic acid Formula: C25H23N3O3 MolecularWeight: 413.46842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(C(=C2)C(=O)NC3=CC=C(C=C3)C(=N)N)C4=CC=CC=C4C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C=C(C(=C2)C(=O)NC3=CC=C(C=C3)C(=N)N)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C25H23N3O3/c26-23(27)15-9-11-18(12-10-15)28-24(29)22-14-17-6-2-1-5-16(17)13-21(22)19-7-3-4-8-20(19)25(30)31/h3-4,7-14H,1-2,5-6H2,(H3,26,27)(H,28,29)(H,30,31)