2-[2-[butyl-(4-carbamimidoylphenyl)-methyl-azaniumyl]carbonyl-3,4-dihydro-2H-chromen-3-yl]ethanoate

Systemtic Name: 2-[2-[butyl-(4-carbamimidoylphenyl)-methyl-azaniumyl]carbonyl-3,4-dihydro-2H-chromen-3-yl]ethanoate Openeye Name: 2-[2-[butyl-(4-carbamimidoylphenyl)-methyl-ammonio]carbonylchroman-3-yl]acetate CAS Name: 2-[2-[[butyl-(4-carbamimidoylphenyl)-methylammonio]-oxomethyl]-3,4-dihydro-2H-1-benzopyran-3-yl]acetate IUPAC Name: 2-[2-[butyl-(4-carbamimidoylphenyl)-methylazaniumyl]carbonyl-3,4-dihydro-2H-chromen-3-yl]acetate Traditional Name: 2-[2-[(4-amidinophenyl)-butyl-methyl-ammonio]carbonylchroman-3-yl]acetate Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](C)(C1=CC=C(C=C1)C(=N)N)C(=O)C2C(CC3=CC=CC=C3O2)CC(=O)[O-]

Isomeric SMILES

CCCC[N+](C)(C1=CC=C(C=C1)C(=N)N)C(=O)C2C(CC3=CC=CC=C3O2)CC(=O)[O-]

InChI

InChI=1S/C24H29N3O4/c1-3-4-13-27(2,19-11-9-16(10-12-19)23(25)26)24(30)22-18(15-21(28)29)14-17-7-5-6-8-20(17)31-22/h5-12,18,22H,3-4,13-15H2,1-2H3,(H3-,25,26,28,29)