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4-butoxy-2-(cyclopropylmethyl)-1-oxidanylidene-6-phenylmethoxy-isoquinoline-3-carboxylic acid

4-butoxy-2-(cyclopropylmethyl)-1-oxidanylidene-6-phenylmethoxy-isoquinoline-3-carboxylic acid

Systemtic Name:4-butoxy-2-(cyclopropylmethyl)-1-oxidanylidene-6-phenylmethoxy-isoquinoline-3-carboxylic acid
Openeye Name:6-benzyloxy-4-butoxy-2-(cyclopropylmethyl)-1-oxo-isoquinoline-3-carboxylic acid
CAS Name:4-butoxy-2-(cyclopropylmethyl)-1-oxo-6-phenylmethoxy-3-isoquinolinecarboxylic acid
IUPAC Name:4-butoxy-2-(cyclopropylmethyl)-1-oxo-6-phenylmethoxyisoquinoline-3-carboxylic acid
Traditional Name:6-benzoxy-4-butoxy-2-(cyclopropylmethyl)-1-keto-isoquinoline-3-carboxylic acid
Formula: C25H27NO5
MolecularWeight: 421.48558
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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)OCC3=CC=CC=C3)CC4CC4)C(=O)O


Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)OCC3=CC=CC=C3)CC4CC4)C(=O)O


InChI

InChI=1S/C25H27NO5/c1-2-3-13-30-23-21-14-19(31-16-18-7-5-4-6-8-18)11-12-20(21)24(27)26(15-17-9-10-17)22(23)25(28)29/h4-8,11-12,14,17H,2-3,9-10,13,15-16H2,1H3,(H,28,29)


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