4-[[4-[6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperazin-1-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[4-[6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperazin-1-yl]carbonylamino]benzoic acid Openeye Name: 4-[[4-[6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperazine-1-carbonyl]amino]benzoic acid CAS Name: 4-[[[4-[6-methoxy-7-[3-(1-pyrrolidinyl)propoxy]-4-quinazolinyl]-1-piperazinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[4-[6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperazine-1-carbonyl]amino]benzoic acid Traditional Name: 4-[[4-[6-methoxy-7-(3-pyrrolidinopropoxy)quinazolin-4-yl]piperazine-1-carbonyl]amino]benzoic acid Formula: C28H34N6O5 MolecularWeight: 534.60676

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=O)NC4=CC=C(C=C4)C(=O)O)OCCCN5CCCC5

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=O)NC4=CC=C(C=C4)C(=O)O)OCCCN5CCCC5

InChI

InChI=1S/C28H34N6O5/c1-38-24-17-22-23(18-25(24)39-16-4-11-32-9-2-3-10-32)29-19-30-26(22)33-12-14-34(15-13-33)28(37)31-21-7-5-20(6-8-21)27(35)36/h5-8,17-19H,2-4,9-16H2,1H3,(H,31,37)(H,35,36)