ethyl 3-[4-[4-(2H-chromen-3-ylcarbonylamino)butyl]piperazin-1-yl]benzoate

Systemtic Name: ethyl 3-[4-[4-(2H-chromen-3-ylcarbonylamino)butyl]piperazin-1-yl]benzoate Openeye Name: ethyl 3-[4-[4-(2H-chromene-3-carbonylamino)butyl]piperazin-1-yl]benzoate CAS Name: 3-[4-[4-[[2H-1-benzopyran-3-yl(oxo)methyl]amino]butyl]-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[4-[4-(2H-chromene-3-carbonylamino)butyl]piperazin-1-yl]benzoate Traditional Name: 3-[4-[4-(2H-chromene-3-carbonylamino)butyl]piperazino]benzoic acid ethyl ester Formula: C27H33N3O4 MolecularWeight: 463.56862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)N2CCN(CC2)CCCCNC(=O)C3=CC4=CC=CC=C4OC3

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)N2CCN(CC2)CCCCNC(=O)C3=CC4=CC=CC=C4OC3

InChI

InChI=1S/C27H33N3O4/c1-2-33-27(32)22-9-7-10-24(19-22)30-16-14-29(15-17-30)13-6-5-12-28-26(31)23-18-21-8-3-4-11-25(21)34-20-23/h3-4,7-11,18-19H,2,5-6,12-17,20H2,1H3,(H,28,31)