ethyl 2-[6-[(4-carbamimidoylphenyl)carbonylamino]-3,4-dihydro-2H-chromen-3-yl]ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=N)N)OC1

Isomeric SMILES

CCOC(=O)CC1CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=N)N)OC1

InChI

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