2-[6-[(4-carbamimidoylphenyl)-methyl-carbamoyl]-2-ethyl-3,4-dihydro-2H-chromen-3-yl]ethanoic acid

Systemtic Name: 2-[6-[(4-carbamimidoylphenyl)-methyl-carbamoyl]-2-ethyl-3,4-dihydro-2H-chromen-3-yl]ethanoic acid Openeye Name: 2-[6-[(4-carbamimidoylphenyl)-methyl-carbamoyl]-2-ethyl-chroman-3-yl]acetic acid CAS Name: 2-[6-[(4-carbamimidoyl-N-methylanilino)-oxomethyl]-2-ethyl-3,4-dihydro-2H-1-benzopyran-3-yl]acetic acid IUPAC Name: 2-[6-[(4-carbamimidoylphenyl)-methylcarbamoyl]-2-ethyl-3,4-dihydro-2H-chromen-3-yl]acetic acid Traditional Name: 2-[6-[(4-amidinophenyl)-methyl-carbamoyl]-2-ethyl-chroman-3-yl]acetic acid Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(CC2=C(O1)C=CC(=C2)C(=O)N(C)C3=CC=C(C=C3)C(=N)N)CC(=O)O

Isomeric SMILES

CCC1C(CC2=C(O1)C=CC(=C2)C(=O)N(C)C3=CC=C(C=C3)C(=N)N)CC(=O)O

InChI

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