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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1CCC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC(=O)CC1CCC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=N)N

InChI

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