[(4-carbamimidoylphenyl)amino] 2-[3-ethoxy-5-[(propan-2-ylamino)methyl]phenyl]ethanoate

Systemtic Name: [(4-carbamimidoylphenyl)amino] 2-[3-ethoxy-5-[(propan-2-ylamino)methyl]phenyl]ethanoate Openeye Name: (4-carbamimidoylanilino) 2-[3-ethoxy-5-[(isopropylamino)methyl]phenyl]acetate CAS Name: 2-[3-ethoxy-5-[(propan-2-ylamino)methyl]phenyl]acetic acid (4-carbamimidoylanilino) ester IUPAC Name: (4-carbamimidoylanilino) 2-[3-ethoxy-5-[(propan-2-ylamino)methyl]phenyl]acetate Traditional Name: 2-[3-ethoxy-5-[(isopropylamino)methyl]phenyl]acetic acid (4-amidinoanilino) ester Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)CNC(C)C)CC(=O)ONC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCOC1=CC(=CC(=C1)CNC(C)C)CC(=O)ONC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C21H28N4O3/c1-4-27-19-10-15(9-16(11-19)13-24-14(2)3)12-20(26)28-25-18-7-5-17(6-8-18)21(22)23/h5-11,14,24-25H,4,12-13H2,1-3H3,(H3,22,23)