4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-3-phenyl-5,6,7,8-tetrahydrochromen-2-one

Systemtic Name: 4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-3-phenyl-5,6,7,8-tetrahydrochromen-2-one Openeye Name: 4-[2-hydroxy-3-(isopropylamino)propoxy]-3-phenyl-5,6,7,8-tetrahydrochromen-2-one CAS Name: 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-phenyl-5,6,7,8-tetrahydro-1-benzopyran-2-one IUPAC Name: 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-phenyl-5,6,7,8-tetrahydrochromen-2-one Traditional Name: 4-[2-hydroxy-3-(isopropylamino)propoxy]-3-phenyl-5,6,7,8-tetrahydrochromen-2-one Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=C(C(=O)OC2=C1CCCC2)C3=CC=CC=C3)O

Isomeric SMILES

CC(C)NCC(COC1=C(C(=O)OC2=C1CCCC2)C3=CC=CC=C3)O

InChI

InChI=1S/C21H27NO4/c1-14(2)22-12-16(23)13-25-20-17-10-6-7-11-18(17)26-21(24)19(20)15-8-4-3-5-9-15/h3-5,8-9,14,16,22-23H,6-7,10-13H2,1-2H3