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

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-4-(propan-2-ylamino)phenyl]ethanoate hydrochloride Openeye Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-4-(isopropylamino)phenyl]acetate hydrochloride CAS Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-4-(propan-2-ylamino)phenyl]acetate hydrochloride IUPAC Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-4-(propan-2-ylamino)phenyl]acetate hydrochloride Traditional Name: 2-(4-amidinoanilino)-2-[3-ethoxy-4-(isopropylamino)phenyl]acetate hydrochloride Formula: C20H26ClN4O3- MolecularWeight: 405.89844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N)NC(C)C.Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N)NC(C)C.Cl

InChI

InChI=1S/C20H26N4O3.ClH/c1-4-27-17-11-14(7-10-16(17)23-12(2)3)18(20(25)26)24-15-8-5-13(6-9-15)19(21)22;/h5-12,18,23-24H,4H2,1-3H3,(H3,21,22)(H,25,26);1H/p-1