[1-(3-azanylpropanoyl)-3-(4-hydroxyphenyl)piperidin-4-yl] 4-carbamimidoylbenzoate

Systemtic Name: [1-(3-azanylpropanoyl)-3-(4-hydroxyphenyl)piperidin-4-yl] 4-carbamimidoylbenzoate Openeye Name: [1-(3-aminopropanoyl)-3-(4-hydroxyphenyl)-4-piperidyl] 4-carbamimidoylbenzoate CAS Name: 4-carbamimidoylbenzoic acid [1-(3-amino-1-oxopropyl)-3-(4-hydroxyphenyl)-4-piperidinyl] ester IUPAC Name: [1-(3-aminopropanoyl)-3-(4-hydroxyphenyl)piperidin-4-yl] 4-carbamimidoylbenzoate Traditional Name: 4-amidinobenzoic acid [1-(3-aminopropanoyl)-3-(4-hydroxyphenyl)-4-piperidyl] ester Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1OC(=O)C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)O)C(=O)CCN

Isomeric SMILES

C1CN(CC(C1OC(=O)C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)O)C(=O)CCN

InChI

InChI=1S/C22H26N4O4/c23-11-9-20(28)26-12-10-19(18(13-26)14-5-7-17(27)8-6-14)30-22(29)16-3-1-15(2-4-16)21(24)25/h1-8,18-19,27H,9-13,23H2,(H3,24,25)