N-[4-(phenethylamino)cyclohepta[b]indol-7-yl]ethanamide; 2-phenylethanoic acid

Systemtic Name: N-[4-(phenethylamino)cyclohepta[b]indol-7-yl]ethanamide; 2-phenylethanoic acid Openeye Name: N-[4-(phenethylamino)cyclohepta[b]indol-7-yl]acetamide; 2-phenylacetic acid CAS Name: N-[4-(phenethylamino)-7-cyclohepta[b]indolyl]acetamide; 2-phenylacetic acid IUPAC Name: N-[4-(phenethylamino)cyclohepta[b]indol-7-yl]acetamide; 2-phenylacetic acid Traditional Name: N-[4-(phenethylamino)cyclohept[b]indol-7-yl]acetamide; 2-phenylacetic acid Formula: C31H29N3O3 MolecularWeight: 491.58026

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC2=C3C=CC=C(C3=NC2=C1)NCCC4=CC=CC=C4.C1=CC=C(C=C1)CC(=O)O

Isomeric SMILES

CC(=O)NC1=CC=CC2=C3C=CC=C(C3=NC2=C1)NCCC4=CC=CC=C4.C1=CC=C(C=C1)CC(=O)O

InChI

InChI=1S/C23H21N3O.C8H8O2/c1-16(27)25-18-9-5-10-19-20-11-6-12-21(23(20)26-22(19)15-18)24-14-13-17-7-3-2-4-8-17;9-8(10)6-7-4-2-1-3-5-7/h2-12,15,24H,13-14H2,1H3,(H,25,27);1-5H,6H2,(H,9,10)