3-(cyclopropylmethoxy)-4-[2-[[(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid

Systemtic Name: 3-(cyclopropylmethoxy)-4-[2-[[(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid Openeye Name: 3-(cyclopropylmethoxy)-4-[2-[[[2-hydroxy-2-(3-pyridyl)ethyl]amino]methyl]chroman-6-yl]benzoic acid CAS Name: 3-(cyclopropylmethoxy)-4-[2-[[[2-hydroxy-2-(3-pyridinyl)ethyl]amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-yl]benzoic acid IUPAC Name: 3-(cyclopropylmethoxy)-4-[2-[[(2-hydroxy-2-pyridin-3-ylethyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid Traditional Name: 3-(cyclopropylmethoxy)-4-[2-[[[2-hydroxy-2-(3-pyridyl)ethyl]amino]methyl]chroman-6-yl]benzoic acid Formula: C28H30N2O5 MolecularWeight: 474.5482

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1COC2=C(C=CC(=C2)C(=O)O)C3=CC4=C(C=C3)OC(CC4)CNCC(C5=CN=CC=C5)O

Isomeric SMILES

C1CC1COC2=C(C=CC(=C2)C(=O)O)C3=CC4=C(C=C3)OC(CC4)CNCC(C5=CN=CC=C5)O

InChI

InChI=1S/C28H30N2O5/c31-25(22-2-1-11-29-14-22)16-30-15-23-8-5-20-12-19(7-10-26(20)35-23)24-9-6-21(28(32)33)13-27(24)34-17-18-3-4-18/h1-2,6-7,9-14,18,23,25,30-31H,3-5,8,15-17H2,(H,32,33)