ethyl 3-[4-[4-[(6-methoxy-2H-chromen-3-yl)carbonylamino]butyl]piperazin-1-yl]benzoate

Systemtic Name: ethyl 3-[4-[4-[(6-methoxy-2H-chromen-3-yl)carbonylamino]butyl]piperazin-1-yl]benzoate Openeye Name: ethyl 3-[4-[4-[(6-methoxy-2H-chromene-3-carbonyl)amino]butyl]piperazin-1-yl]benzoate CAS Name: 3-[4-[4-[[(6-methoxy-2H-1-benzopyran-3-yl)-oxomethyl]amino]butyl]-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[4-[4-[(6-methoxy-2H-chromene-3-carbonyl)amino]butyl]piperazin-1-yl]benzoate Traditional Name: 3-[4-[4-[(6-methoxy-2H-chromene-3-carbonyl)amino]butyl]piperazino]benzoic acid ethyl ester Formula: C28H35N3O5 MolecularWeight: 493.5946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)N2CCN(CC2)CCCCNC(=O)C3=CC4=C(C=CC(=C4)OC)OC3

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)N2CCN(CC2)CCCCNC(=O)C3=CC4=C(C=CC(=C4)OC)OC3

InChI

InChI=1S/C28H35N3O5/c1-3-35-28(33)21-7-6-8-24(18-21)31-15-13-30(14-16-31)12-5-4-11-29-27(32)23-17-22-19-25(34-2)9-10-26(22)36-20-23/h6-10,17-19H,3-5,11-16,20H2,1-2H3,(H,29,32)