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

Systemtic Name: 2-[1-azanyl-2-[N'-(pyridin-3-ylmethyl)carbamimidoyl]-3,4-dihydro-1H-naphthalen-2-yl]ethanoyl benzoate Openeye Name: [2-[1-amino-2-[N'-(3-pyridylmethyl)carbamimidoyl]tetralin-2-yl]acetyl] benzoate CAS Name: benzoic acid [2-[1-amino-2-[amino(3-pyridinylmethylimino)methyl]-3,4-dihydro-1H-naphthalen-2-yl]-1-oxoethyl] ester IUPAC Name: [2-[1-amino-2-[N'-(pyridin-3-ylmethyl)carbamimidoyl]-3,4-dihydro-1H-naphthalen-2-yl]acetyl] benzoate Traditional Name: benzoic acid [2-[1-amino-2-[N'-(3-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=CN=CC=C4)N

Isomeric SMILES

C1CC(C(C2=CC=CC=C21)N)(CC(=O)OC(=O)C3=CC=CC=C3)C(=NCC4=CN=CC=C4)N

InChI

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