2-[2-tert-butyl-6-[(4-carbamimidoylphenyl)carbamoyl]-3,4-dihydro-2H-chromen-3-yl]ethanoate

Systemtic Name: 2-[2-tert-butyl-6-[(4-carbamimidoylphenyl)carbamoyl]-3,4-dihydro-2H-chromen-3-yl]ethanoate Openeye Name: 2-[2-tert-butyl-6-[(4-carbamimidoylphenyl)carbamoyl]chroman-3-yl]acetate CAS Name: 2-[2-tert-butyl-6-[(4-carbamimidoylanilino)-oxomethyl]-3,4-dihydro-2H-1-benzopyran-3-yl]acetate IUPAC Name: 2-[2-tert-butyl-6-[(4-carbamimidoylphenyl)carbamoyl]-3,4-dihydro-2H-chromen-3-yl]acetate Traditional Name: 2-[6-[(4-amidinophenyl)carbamoyl]-2-tert-butyl-chroman-3-yl]acetate Formula: C23H26N3O4- MolecularWeight: 408.47024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1C(CC2=C(O1)C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=N)N)CC(=O)[O-]

Isomeric SMILES

CC(C)(C)C1C(CC2=C(O1)C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=N)N)CC(=O)[O-]

InChI

InChI=1S/C23H27N3O4/c1-23(2,3)20-16(12-19(27)28)11-15-10-14(6-9-18(15)30-20)22(29)26-17-7-4-13(5-8-17)21(24)25/h4-10,16,20H,11-12H2,1-3H3,(H3,24,25)(H,26,29)(H,27,28)/p-1