2-ethoxy-3-[4-[(2-phenylpyridin-3-yl)methyl]-1,4-diazepan-1-yl]naphthalene-1-carboxylic acid

Systemtic Name: 2-ethoxy-3-[4-[(2-phenylpyridin-3-yl)methyl]-1,4-diazepan-1-yl]naphthalene-1-carboxylic acid Openeye Name: 2-ethoxy-3-[4-[(2-phenyl-3-pyridyl)methyl]-1,4-diazepan-1-yl]naphthalene-1-carboxylic acid CAS Name: 2-ethoxy-3-[4-[(2-phenyl-3-pyridinyl)methyl]-1,4-diazepan-1-yl]-1-naphthalenecarboxylic acid IUPAC Name: 2-ethoxy-3-[4-[(2-phenylpyridin-3-yl)methyl]-1,4-diazepan-1-yl]naphthalene-1-carboxylic acid Traditional Name: 2-ethoxy-3-[4-[(2-phenyl-3-pyridyl)methyl]-1,4-diazepan-1-yl]-1-naphthoic acid Formula: C30H31N3O3 MolecularWeight: 481.58544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C2=CC=CC=C2C=C1N3CCCN(CC3)CC4=C(N=CC=C4)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

CCOC1=C(C2=CC=CC=C2C=C1N3CCCN(CC3)CC4=C(N=CC=C4)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C30H31N3O3/c1-2-36-29-26(20-23-12-6-7-14-25(23)27(29)30(34)35)33-17-9-16-32(18-19-33)21-24-13-8-15-31-28(24)22-10-4-3-5-11-22/h3-8,10-15,20H,2,9,16-19,21H2,1H3,(H,34,35)