2-[6-[(4-carbamimidoylphenyl)carbonylamino]-4,4-dimethyl-2,3-dihydrochromen-2-yl]ethanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(OC2=C1C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=N)N)CC(=O)O)C

Isomeric SMILES

CC1(CC(OC2=C1C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=N)N)CC(=O)O)C

InChI

InChI=1S/C21H23N3O4/c1-21(2)11-15(10-18(25)26)28-17-8-7-14(9-16(17)21)24-20(27)13-5-3-12(4-6-13)19(22)23/h3-9,15H,10-11H2,1-2H3,(H3,22,23)(H,24,27)(H,25,26)