5-[2-(butylamino)-2-oxidanylidene-ethyl]-3-methoxy-2-[(1-methylindol-3-yl)methyl]benzoic acid

Systemtic Name: 5-[2-(butylamino)-2-oxidanylidene-ethyl]-3-methoxy-2-[(1-methylindol-3-yl)methyl]benzoic acid Openeye Name: 5-[2-(butylamino)-2-oxo-ethyl]-3-methoxy-2-[(1-methylindol-3-yl)methyl]benzoic acid CAS Name: 5-[2-(butylamino)-2-oxoethyl]-3-methoxy-2-[(1-methyl-3-indolyl)methyl]benzoic acid IUPAC Name: 5-[2-(butylamino)-2-oxoethyl]-3-methoxy-2-[(1-methylindol-3-yl)methyl]benzoic acid Traditional Name: 5-[2-(butylamino)-2-keto-ethyl]-3-methoxy-2-[(1-methylindol-3-yl)methyl]benzoic acid Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CC1=CC(=C(C(=C1)C(=O)O)CC2=CN(C3=CC=CC=C32)C)OC

Isomeric SMILES

CCCCNC(=O)CC1=CC(=C(C(=C1)C(=O)O)CC2=CN(C3=CC=CC=C32)C)OC

InChI

InChI=1S/C24H28N2O4/c1-4-5-10-25-23(27)13-16-11-20(24(28)29)19(22(12-16)30-3)14-17-15-26(2)21-9-7-6-8-18(17)21/h6-9,11-12,15H,4-5,10,13-14H2,1-3H3,(H,25,27)(H,28,29)