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

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

Isomeric SMILES

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

InChI

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