3-[6-[(4-carbamimidoylphenyl)carbonylamino]-2-methyl-3,4-dihydrochromen-2-yl]propanoic acid

Systemtic Name: 3-[6-[(4-carbamimidoylphenyl)carbonylamino]-2-methyl-3,4-dihydrochromen-2-yl]propanoic acid Openeye Name: 3-[6-[(4-carbamimidoylbenzoyl)amino]-2-methyl-chroman-2-yl]propanoic acid CAS Name: 3-[6-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-2-methyl-3,4-dihydro-2H-1-benzopyran-2-yl]propanoic acid IUPAC Name: 3-[6-[(4-carbamimidoylbenzoyl)amino]-2-methyl-3,4-dihydrochromen-2-yl]propanoic acid Traditional Name: 3-[6-[(4-amidinobenzoyl)amino]-2-methyl-chroman-2-yl]propionic acid Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=N)N)CCC(=O)O

Isomeric SMILES

CC1(CCC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=N)N)CCC(=O)O

InChI

InChI=1S/C21H23N3O4/c1-21(11-9-18(25)26)10-8-15-12-16(6-7-17(15)28-21)24-20(27)14-4-2-13(3-5-14)19(22)23/h2-7,12H,8-11H2,1H3,(H3,22,23)(H,24,27)(H,25,26)