2-[4-[2-oxidanylidene-2-(phenanthren-4-ylamino)ethyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[2-oxidanylidene-2-(phenanthren-4-ylamino)ethyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[2-oxo-2-(4-phenanthrylamino)ethyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[2-oxo-2-(4-phenanthrenylamino)ethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[2-oxo-2-(phenanthren-4-ylamino)ethyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[2-keto-2-(4-phenanthrylamino)ethyl]piperazino]acetic acid Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC2=CC=CC3=C2C4=CC=CC=C4C=C3)CC(=O)O

Isomeric SMILES

C1CN(CCN1CC(=O)NC2=CC=CC3=C2C4=CC=CC=C4C=C3)CC(=O)O

InChI

InChI=1S/C22H23N3O3/c26-20(14-24-10-12-25(13-11-24)15-21(27)28)23-19-7-3-5-17-9-8-16-4-1-2-6-18(16)22(17)19/h1-9H,10-15H2,(H,23,26)(H,27,28)