2-[1-azanyl-2-[(Z)-N'-butoxycarbonylcarbamimidoyl]-3,4-dihydro-1H-naphthalen-2-yl]ethanoyl benzoate

Systemtic Name: 2-[1-azanyl-2-[(Z)-N'-butoxycarbonylcarbamimidoyl]-3,4-dihydro-1H-naphthalen-2-yl]ethanoyl benzoate Openeye Name: [2-[1-amino-2-[(Z)-N'-butoxycarbonylcarbamimidoyl]tetralin-2-yl]acetyl] benzoate CAS Name: benzoic acid [2-[1-amino-2-[(Z)-amino-[butoxy(oxo)methyl]iminomethyl]-3,4-dihydro-1H-naphthalen-2-yl]-1-oxoethyl] ester IUPAC Name: [2-[1-amino-2-[(Z)-N'-butoxycarbonylcarbamimidoyl]-3,4-dihydro-1H-naphthalen-2-yl]acetyl] benzoate Traditional Name: benzoic acid [2-[1-amino-2-[(Z)-N'-butoxycarbonylamidino]tetralin-2-yl]acetyl] ester Formula: C25H29N3O5 MolecularWeight: 451.51486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N=C(C1(CCC2=CC=CC=C2C1N)CC(=O)OC(=O)C3=CC=CC=C3)N

Isomeric SMILES

CCCCOC(=O)/N=C(/C1(CCC2=CC=CC=C2C1N)CC(=O)OC(=O)C3=CC=CC=C3)\N

InChI

InChI=1S/C25H29N3O5/c1-2-3-15-32-24(31)28-23(27)25(14-13-17-9-7-8-12-19(17)21(25)26)16-20(29)33-22(30)18-10-5-4-6-11-18/h4-12,21H,2-3,13-16,26H2,1H3,(H2,27,28,31)