(4-pyridin-3-yl-2H-chromen-3-yl) 3-(4-phenylpiperazin-1-yl)propanoate

Systemtic Name: (4-pyridin-3-yl-2H-chromen-3-yl) 3-(4-phenylpiperazin-1-yl)propanoate Openeye Name: [4-(3-pyridyl)-2H-chromen-3-yl] 3-(4-phenylpiperazin-1-yl)propanoate CAS Name: 3-(4-phenyl-1-piperazinyl)propanoic acid [4-(3-pyridinyl)-2H-1-benzopyran-3-yl] ester IUPAC Name: (4-pyridin-3-yl-2H-chromen-3-yl) 3-(4-phenylpiperazin-1-yl)propanoate Traditional Name: 3-(4-phenylpiperazino)propionic acid [4-(3-pyridyl)-2H-chromen-3-yl] ester Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)OC2=C(C3=CC=CC=C3OC2)C4=CN=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCC(=O)OC2=C(C3=CC=CC=C3OC2)C4=CN=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H27N3O3/c31-26(12-14-29-15-17-30(18-16-29)22-8-2-1-3-9-22)33-25-20-32-24-11-5-4-10-23(24)27(25)21-7-6-13-28-19-21/h1-11,13,19H,12,14-18,20H2