2-[2-tert-butyl-6-[(4-carbamimidoylphenyl)carbonyl-methyl-amino]-3,4-dihydro-2H-chromen-3-yl]ethanoic acid

Systemtic Name: 2-[2-tert-butyl-6-[(4-carbamimidoylphenyl)carbonyl-methyl-amino]-3,4-dihydro-2H-chromen-3-yl]ethanoic acid Openeye Name: 2-[2-tert-butyl-6-[(4-carbamimidoylbenzoyl)-methyl-amino]chroman-3-yl]acetic acid CAS Name: 2-[2-tert-butyl-6-[[(4-carbamimidoylphenyl)-oxomethyl]-methylamino]-3,4-dihydro-2H-1-benzopyran-3-yl]acetic acid IUPAC Name: 2-[2-tert-butyl-6-[(4-carbamimidoylbenzoyl)-methylamino]-3,4-dihydro-2H-chromen-3-yl]acetic acid Traditional Name: 2-[6-[(4-amidinobenzoyl)-methyl-amino]-2-tert-butyl-chroman-3-yl]acetic acid Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1C(CC2=C(O1)C=CC(=C2)N(C)C(=O)C3=CC=C(C=C3)C(=N)N)CC(=O)O

Isomeric SMILES

CC(C)(C)C1C(CC2=C(O1)C=CC(=C2)N(C)C(=O)C3=CC=C(C=C3)C(=N)N)CC(=O)O

InChI

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