[4-[4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]piperazin-1-yl]carbonylphenyl] 8-methoxy-2H-chromene-3-carboxylate

Systemtic Name: [4-[4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]piperazin-1-yl]carbonylphenyl] 8-methoxy-2H-chromene-3-carboxylate Openeye Name: [4-[4-[2-(isopropylamino)-2-oxo-ethyl]piperazine-1-carbonyl]phenyl] 8-methoxy-2H-chromene-3-carboxylate CAS Name: 8-methoxy-2H-1-benzopyran-3-carboxylic acid [4-[oxo-[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1-piperazinyl]methyl]phenyl] ester IUPAC Name: [4-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carbonyl]phenyl] 8-methoxy-2H-chromene-3-carboxylate Traditional Name: 8-methoxy-2H-chromene-3-carboxylic acid [4-[4-[2-(isopropylamino)-2-keto-ethyl]piperazine-1-carbonyl]phenyl] ester Formula: C27H31N3O6 MolecularWeight: 493.55154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CN1CCN(CC1)C(=O)C2=CC=C(C=C2)OC(=O)C3=CC4=C(C(=CC=C4)OC)OC3

Isomeric SMILES

CC(C)NC(=O)CN1CCN(CC1)C(=O)C2=CC=C(C=C2)OC(=O)C3=CC4=C(C(=CC=C4)OC)OC3

InChI

InChI=1S/C27H31N3O6/c1-18(2)28-24(31)16-29-11-13-30(14-12-29)26(32)19-7-9-22(10-8-19)36-27(33)21-15-20-5-4-6-23(34-3)25(20)35-17-21/h4-10,15,18H,11-14,16-17H2,1-3H3,(H,28,31)