2-[2-[(4-carbamimidoylphenyl)-methyl-carbamoyl]-2-ethyl-3,4-dihydrochromen-3-yl]ethanoate

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)-methyl-carbamoyl]-2-ethyl-3,4-dihydrochromen-3-yl]ethanoate Openeye Name: 2-[2-[(4-carbamimidoylphenyl)-methyl-carbamoyl]-2-ethyl-chroman-3-yl]acetate CAS Name: 2-[2-[(4-carbamimidoyl-N-methylanilino)-oxomethyl]-2-ethyl-3,4-dihydro-2H-1-benzopyran-3-yl]acetate IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)-methylcarbamoyl]-2-ethyl-3,4-dihydrochromen-3-yl]acetate Traditional Name: 2-[2-[(4-amidinophenyl)-methyl-carbamoyl]-2-ethyl-chroman-3-yl]acetate Formula: C22H24N3O4- MolecularWeight: 394.44366

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(CC2=CC=CC=C2O1)CC(=O)[O-])C(=O)N(C)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCC1(C(CC2=CC=CC=C2O1)CC(=O)[O-])C(=O)N(C)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H25N3O4/c1-3-22(21(28)25(2)17-10-8-14(9-11-17)20(23)24)16(13-19(26)27)12-15-6-4-5-7-18(15)29-22/h4-11,16H,3,12-13H2,1-2H3,(H3,23,24)(H,26,27)/p-1