(4-naphthalen-2-ylbutanoylamino) 5-[[1-[(4-methylphenyl)methyl]indol-3-yl]carbonylamino]pentanoate

Systemtic Name: (4-naphthalen-2-ylbutanoylamino) 5-[[1-[(4-methylphenyl)methyl]indol-3-yl]carbonylamino]pentanoate Openeye Name: [4-(2-naphthyl)butanoylamino] 5-[[1-(p-tolylmethyl)indole-3-carbonyl]amino]pentanoate CAS Name: 5-[[[1-[(4-methylphenyl)methyl]-3-indolyl]-oxomethyl]amino]pentanoic acid [[4-(2-naphthalenyl)-1-oxobutyl]amino] ester IUPAC Name: (4-naphthalen-2-ylbutanoylamino) 5-[[1-[(4-methylphenyl)methyl]indole-3-carbonyl]amino]pentanoate Traditional Name: 5-[[1-(4-methylbenzyl)indole-3-carbonyl]amino]valeric acid [4-(2-naphthyl)butanoylamino] ester Formula: C36H37N3O4 MolecularWeight: 575.69668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C(=O)NCCCCC(=O)ONC(=O)CCCC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C(=O)NCCCCC(=O)ONC(=O)CCCC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C36H37N3O4/c1-26-16-18-28(19-17-26)24-39-25-32(31-12-4-5-13-33(31)39)36(42)37-22-7-6-15-35(41)43-38-34(40)14-8-9-27-20-21-29-10-2-3-11-30(29)23-27/h2-5,10-13,16-21,23,25H,6-9,14-15,22,24H2,1H3,(H,37,42)(H,38,40)