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

Systemtic Name: butyl 2-[6-[(4-carbamimidoylphenyl)carbonylamino]-3,4-dihydro-2H-chromen-3-yl]ethanoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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