4-[4-[2-(3-methoxypropylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]-3-(propanoylamino)benzoic acid

Systemtic Name: 4-[4-[2-(3-methoxypropylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]-3-(propanoylamino)benzoic acid Openeye Name: 4-[4-[2-(3-methoxypropylamino)-2-oxo-ethyl]piperazin-1-yl]-3-(propanoylamino)benzoic acid CAS Name: 4-[4-[2-(3-methoxypropylamino)-2-oxoethyl]-1-piperazinyl]-3-(1-oxopropylamino)benzoic acid IUPAC Name: 4-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-yl]-3-(propanoylamino)benzoic acid Traditional Name: 4-[4-[2-keto-2-(3-methoxypropylamino)ethyl]piperazino]-3-propionamido-benzoic acid Formula: C20H30N4O5 MolecularWeight: 406.476

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=CC(=C1)C(=O)O)N2CCN(CC2)CC(=O)NCCCOC

Isomeric SMILES

CCC(=O)NC1=C(C=CC(=C1)C(=O)O)N2CCN(CC2)CC(=O)NCCCOC

InChI

InChI=1S/C20H30N4O5/c1-3-18(25)22-16-13-15(20(27)28)5-6-17(16)24-10-8-23(9-11-24)14-19(26)21-7-4-12-29-2/h5-6,13H,3-4,7-12,14H2,1-2H3,(H,21,26)(H,22,25)(H,27,28)