3-[[4-[2-(5-chloranyl-1-prop-2-enyl-indol-2-yl)carbonylpentyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[2-(5-chloranyl-1-prop-2-enyl-indol-2-yl)carbonylpentyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[2-(1-allyl-5-chloro-indole-2-carbonyl)pentyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[2-[(5-chloro-1-prop-2-enyl-2-indolyl)-oxomethyl]pentyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[2-(5-chloro-1-prop-2-enylindole-2-carbonyl)pentyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[2-(1-allyl-5-chloro-indole-2-carbonyl)pentyl]benzoyl]amino]propionic acid Formula: C27H29ClN2O4 MolecularWeight: 480.98316

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1=CC=C(C=C1)C(=O)NCCC(=O)O)C(=O)C2=CC3=C(N2CC=C)C=CC(=C3)Cl

Isomeric SMILES

CCCC(CC1=CC=C(C=C1)C(=O)NCCC(=O)O)C(=O)C2=CC3=C(N2CC=C)C=CC(=C3)Cl

InChI

InChI=1S/C27H29ClN2O4/c1-3-5-20(15-18-6-8-19(9-7-18)27(34)29-13-12-25(31)32)26(33)24-17-21-16-22(28)10-11-23(21)30(24)14-4-2/h4,6-11,16-17,20H,2-3,5,12-15H2,1H3,(H,29,34)(H,31,32)