2-[2-azanyl-2-[N'-(furan-2-ylmethyl)carbamimidoyl]-3,4-dihydrochromen-3-yl]ethanoyl benzoate

Systemtic Name: 2-[2-azanyl-2-[N'-(furan-2-ylmethyl)carbamimidoyl]-3,4-dihydrochromen-3-yl]ethanoyl benzoate Openeye Name: [2-[2-amino-2-[N'-(2-furylmethyl)carbamimidoyl]chroman-3-yl]acetyl] benzoate CAS Name: benzoic acid [2-[2-amino-2-[amino(2-furanylmethylimino)methyl]-3,4-dihydro-2H-1-benzopyran-3-yl]-1-oxoethyl] ester IUPAC Name: [2-[2-amino-2-[N'-(furan-2-ylmethyl)carbamimidoyl]-3,4-dihydrochromen-3-yl]acetyl] benzoate Traditional Name: benzoic acid [2-[2-amino-2-[N'-(2-furfuryl)amidino]chroman-3-yl]acetyl] ester Formula: C24H23N3O5 MolecularWeight: 433.45652

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC2=CC=CC=C21)(C(=NCC3=CC=CO3)N)N)CC(=O)OC(=O)C4=CC=CC=C4

Isomeric SMILES

C1C(C(OC2=CC=CC=C21)(C(=NCC3=CC=CO3)N)N)CC(=O)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H23N3O5/c25-23(27-15-19-10-6-12-30-19)24(26)18(13-17-9-4-5-11-20(17)32-24)14-21(28)31-22(29)16-7-2-1-3-8-16/h1-12,18H,13-15,26H2,(H2,25,27)