2-[1-azanyl-2-[N'-(pyridin-2-ylmethyl)carbamimidoyl]-3,4-dihydro-1H-naphthalen-2-yl]ethanoyl benzoate

Systemtic Name: 2-[1-azanyl-2-[N'-(pyridin-2-ylmethyl)carbamimidoyl]-3,4-dihydro-1H-naphthalen-2-yl]ethanoyl benzoate Openeye Name: [2-[1-amino-2-[N'-(2-pyridylmethyl)carbamimidoyl]tetralin-2-yl]acetyl] benzoate CAS Name: benzoic acid [2-[1-amino-2-[amino(2-pyridinylmethylimino)methyl]-3,4-dihydro-1H-naphthalen-2-yl]-1-oxoethyl] ester IUPAC Name: [2-[1-amino-2-[N'-(pyridin-2-ylmethyl)carbamimidoyl]-3,4-dihydro-1H-naphthalen-2-yl]acetyl] benzoate Traditional Name: benzoic acid [2-[1-amino-2-[N'-(2-pyridylmethyl)amidino]tetralin-2-yl]acetyl] ester Formula: C26H26N4O3 MolecularWeight: 442.50964

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C2=CC=CC=C21)N)(CC(=O)OC(=O)C3=CC=CC=C3)C(=NCC4=CC=CC=N4)N

Isomeric SMILES

C1CC(C(C2=CC=CC=C21)N)(CC(=O)OC(=O)C3=CC=CC=C3)C(=NCC4=CC=CC=N4)N

InChI

InChI=1S/C26H26N4O3/c27-23-21-12-5-4-8-18(21)13-14-26(23,25(28)30-17-20-11-6-7-15-29-20)16-22(31)33-24(32)19-9-2-1-3-10-19/h1-12,15,23H,13-14,16-17,27H2,(H2,28,30)